REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 0.978 3.540 4.073 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 1.488 4.414 4.026 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 -3.628 3.452 -9.571 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 -7.015 -13.525 29.742 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 -9.555 -5.257 3.778 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -0.920 -0.055 -6.178 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -22.243 24.640 29.652 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 -2.232 -2.743 0.913 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -3.540 2.326 -1.755 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 2.492 5.450 15.054 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 -0.245 -0.509 -4.931 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 -7.460 -2.988 -0.312 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 -9.979 9.830 -13.560 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 0.099 1.250 0.552 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -6.812 9.076 4.382 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 -1.806 -5.700 1.951 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 6.432 2.042 -6.306 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 17.452 -3.292 13.957 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 4.004 16.950 6.729 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 0.934 7.037 7.856 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -10.580 0.979 3.339 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 8.211 -0.425 0.459 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 -3.427 0.139 -3.892 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -13.964 -4.402 -10.649 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 3.596 -0.996 -5.964 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 14.231 -7.905 36.836 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 5.104 -5.639 -4.798 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -24.599 15.512 20.737 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 2.123 -4.064 -4.803 1.00 0.00 SBOX O ATOM 30 P ADE A 9 6.626 -0.162 -6.299 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 -1.014 0.942 -0.212 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 1.448 -2.965 -3.023 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 1.483 -0.162 0.544 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 8.140 -1.104 -0.829 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 24.173 1.153 -9.093 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 11.365 -5.350 4.988 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 6.957 -1.056 0.558 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 -13.634 -16.838 -10.621 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 1.063 -2.614 1.692 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 0.031 -1.694 1.021 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 15.805 -25.261 -25.404 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 3.883 -2.928 12.492 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -5.346 -2.467 -2.161 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -7.674 -7.249 14.774 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 6.206 1.435 -2.307 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 4.260 -5.234 7.021 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 11.551 2.976 -0.186 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -2.841 -2.102 3.491 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 -1.606 -3.974 12.688 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 -38.321 4.536 12.200 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 4.906 -7.358 7.582 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 3.858 -0.706 4.483 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 -12.566 3.580 5.890 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 3.608 1.565 -1.305 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -11.846 -10.516 2.281 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -6.579 9.061 4.800 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 10.864 5.612 -15.908 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -3.362 3.586 1.334 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 0.813 -18.060 -2.114 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -0.072 2.585 -2.584 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 20.067 -2.057 -4.956 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 4.070 -0.550 -5.782 1.00 0.00 SBOX O ATOM 63 P ADE A 10 -2.328 -0.535 1.124 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 3.041 0.049 4.674 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 6.191 0.471 0.577 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 6.834 6.821 -7.649 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 3.359 -1.653 -1.794 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -5.445 2.813 2.746 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -0.745 -20.999 -5.029 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -0.322 1.958 -3.903 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 10.713 -19.575 -29.348 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 4.666 -5.498 -5.916 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -1.039 0.153 3.551 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 -6.198 12.780 -1.540 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 -6.308 -0.632 0.559 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 -3.515 -7.367 -3.607 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -3.188 -9.876 0.401 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 5.987 -3.818 0.166 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -6.509 -6.734 1.951 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 -2.173 1.091 6.737 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 2.747 2.731 -1.723 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 -17.526 6.339 1.297 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 11.993 4.575 -19.615 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 1.015 -4.346 -7.987 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -6.867 -8.861 -8.394 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 13.701 3.279 5.221 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -3.399 -6.202 -0.837 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -6.425 2.527 8.884 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 0.742 1.668 -7.591 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 3.619 -7.053 12.905 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 -1.266 2.433 -4.967 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -3.554 3.810 -1.465 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 3.100 4.877 0.007 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 5.033 5.942 -18.382 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -1.785 8.124 -1.490 1.00 0.00 SBOX O ATOM 96 P GUA A 11 1.139 4.857 -0.064 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 11.585 -0.543 -2.255 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 0.733 2.411 4.477 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 4.054 -3.992 -2.925 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 0.841 -1.175 1.644 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -14.132 -1.458 -15.980 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 23.012 -18.060 -19.478 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 -6.865 -5.995 -4.152 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 4.405 0.423 17.273 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 2.110 -3.194 3.177 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -1.491 10.566 2.646 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 24.715 18.615 -1.947 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 0.995 1.989 2.485 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -2.846 0.779 -6.567 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 -5.234 6.621 -6.177 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 1.201 0.032 9.926 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 2.947 -8.067 1.365 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 7.918 -5.586 5.688 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 -5.028 5.402 -2.283 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 0.657 1.041 0.269 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -6.025 -3.876 9.075 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 -4.083 -6.310 -4.473 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 -0.820 1.411 -0.678 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 7.660 9.793 -6.082 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 -15.282 -2.909 -24.931 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 -1.352 2.210 -0.440 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -0.888 -0.706 -0.582 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 9.827 0.908 2.573 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 -6.965 1.892 -16.775 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 5.454 -1.685 -4.788 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 5.351 -12.851 -5.810 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 -3.923 4.727 4.790 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 1.543 13.764 -1.512 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -1.329 0.905 -3.083 1.00 0.00 SBOX O ATOM 130 P ADE A 12 -2.749 1.932 -3.754 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 0.929 3.689 2.075 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 -0.714 4.103 -0.157 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 -1.045 -1.133 4.237 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 5.834 -3.785 -8.023 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 27.230 2.370 5.884 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 10.364 -5.571 -11.950 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -2.439 -5.704 0.664 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 1.535 -0.458 -13.607 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 -5.218 1.596 -2.288 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 0.712 1.011 -5.730 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 3.889 -12.592 -0.949 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -8.030 5.916 -6.787 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 1.948 1.569 8.878 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -10.546 2.568 17.685 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -2.585 0.081 2.806 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 0.641 -11.097 -2.033 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 -3.482 4.048 2.191 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -5.592 3.141 1.612 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -1.436 -15.399 -9.570 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 16.764 8.461 -5.995 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 -7.663 0.079 1.400 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 4.741 0.436 5.164 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 8.485 32.470 -11.269 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 6.422 -1.955 -0.161 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -1.636 -2.885 -2.760 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -9.257 0.882 -0.455 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 -13.546 -0.607 2.382 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 -4.001 7.545 3.276 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -19.702 -22.619 0.339 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 4.188 0.938 5.906 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 3.625 8.506 8.690 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -3.456 -0.256 5.015 1.00 0.00 SBOX O ATOM 163 P GUA A 13 2.577 3.638 2.654 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 1.295 1.025 -9.305 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 -1.551 1.325 -5.896 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 -1.546 2.323 -1.307 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -5.394 0.116 1.274 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 19.893 -20.188 5.339 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -22.036 -2.592 26.930 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -0.945 -1.226 -2.275 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -12.715 12.593 34.777 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 -3.262 -1.969 6.170 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 2.146 3.464 -6.299 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 5.035 3.331 -4.706 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -0.157 -3.603 0.217 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 2.084 -4.454 6.856 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 5.107 12.766 -40.047 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 -5.844 -2.247 0.991 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 -2.900 1.280 -1.510 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 -6.562 10.097 3.814 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 -9.762 6.300 6.699 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 3.420 -0.837 -3.001 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 8.343 1.967 -13.041 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 -6.815 -3.202 0.046 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 1.220 -4.621 -7.239 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 -39.246 30.197 37.493 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -2.481 13.679 10.041 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -3.380 -1.427 -1.325 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 3.555 -3.681 1.684 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 -2.625 -1.433 7.431 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 8.654 6.083 19.664 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 -0.323 -0.913 -6.866 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 2.313 0.981 0.856 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -7.470 1.926 1.787 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 -0.441 -1.312 4.919 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 3.203 1.626 4.642 1.00 0.00 SBOX O ATOM 197 P ADE A 14 0.481 -1.436 3.007 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -2.424 0.679 -1.712 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -6.623 -6.574 5.212 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 -12.417 5.124 -4.106 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 -2.079 0.657 2.535 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 -0.798 -1.498 15.808 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 -25.097 0.859 13.161 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 0.943 -7.339 -0.950 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -1.202 25.295 15.851 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 -2.703 5.311 -0.787 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -0.580 8.185 2.540 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 3.356 -14.120 -7.605 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -1.024 0.354 0.869 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 -1.710 5.973 -2.931 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 3.065 -13.777 -15.775 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 1.699 1.073 -8.101 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 6.711 -5.474 -8.010 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -1.088 -0.432 7.044 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 -2.642 4.708 3.320 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 5.008 -4.247 -9.741 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -0.797 11.378 10.650 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -0.512 0.472 0.403 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 2.545 -3.380 7.460 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 20.729 -9.041 -5.148 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -8.403 -0.108 -1.733 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 -6.384 2.280 2.053 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -8.638 1.383 -0.639 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 12.095 1.956 7.106 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 -1.778 5.614 3.123 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 14.811 -34.338 1.799 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 -2.600 0.122 -4.883 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 3.048 -2.527 3.857 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 4.992 7.030 1.087 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -0.810 1.504 -1.821 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -1.703 0.219 5.313 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 2.043 -3.142 -2.210 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 -5.185 0.228 -2.649 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -0.940 1.346 -9.579 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -8.705 -10.671 -12.851 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 3.254 14.314 4.148 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 10.045 -1.205 3.721 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 -6.112 -0.158 27.393 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 -1.018 0.570 -1.778 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -7.237 0.642 -3.200 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -4.926 -5.805 4.986 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 -5.308 -5.500 3.456 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -6.777 4.594 7.672 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 0.971 1.472 -0.075 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -2.407 4.854 -0.341 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 5.581 -3.784 10.734 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -6.699 -1.292 1.899 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 3.106 3.127 -0.760 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 1.864 -0.380 -4.157 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 21.732 -12.695 -24.221 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -7.269 -2.467 1.851 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 8.660 -1.749 -2.023 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 18.725 8.647 -11.222 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 30.625 2.668 4.834 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -3.491 -6.378 5.460 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 0.250 -1.579 -0.410 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 0.290 0.604 6.324 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -3.534 -1.590 -3.954 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 -1.232 -2.113 2.308 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 0.898 -6.642 -4.100 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 10.857 -3.390 3.964 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 10.744 -3.144 4.006 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 -3.060 3.969 -0.066 1.00 0.00 SBOX O ATOM 264 P GUA A 16 3.102 -1.447 0.312 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 3.094 -1.568 1.521 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 5.701 -1.959 6.468 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 0.838 6.537 -5.349 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -3.865 -3.378 -1.724 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 22.439 21.334 13.357 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 0.164 -2.704 -3.199 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 11.679 1.491 3.339 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 42.270 7.306 8.334 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -2.751 -1.638 0.316 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -1.923 1.513 -1.972 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 8.697 -29.901 11.904 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 0.518 7.261 -1.120 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 1.928 -5.016 2.726 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 -14.147 -21.974 12.961 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 2.489 -1.292 5.749 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -0.234 7.427 2.913 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -1.728 4.979 9.976 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -3.812 -7.142 4.251 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 0.520 9.053 -5.749 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 -33.524 15.911 29.868 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -2.887 4.622 0.016 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 6.587 -0.476 -0.343 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 7.744 -1.055 -2.601 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 -20.393 7.126 6.845 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 2.015 -2.094 1.120 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 6.435 -5.364 -9.550 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 3.406 0.557 -7.107 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 10.783 2.332 -11.399 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 3.953 -9.041 -9.456 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -8.134 -18.572 -1.703 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -3.009 -0.059 1.868 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 -14.640 -1.572 -4.343 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 -1.036 1.726 4.149 1.00 0.00 SBOX O ATOM 298 P URA A 17 5.376 3.568 -1.464 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 -0.772 -0.869 1.088 1.00 0.00 SBOX ATOM 300 O2P URA A 17 4.134 -4.657 -9.562 1.00 0.00 SBOX ATOM 301 O5' URA A 17 0.416 -2.594 -10.256 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 3.115 2.167 13.780 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 -1.365 -6.575 16.350 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -6.653 -9.406 -13.718 1.00 0.00 SBOX ATOM 305 C4' URA A 17 8.390 4.402 -0.270 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 13.974 12.179 -28.103 1.00 0.00 SBOX ATOM 307 O4' URA A 17 -10.134 0.929 -2.159 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 -1.506 -0.431 1.111 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -15.988 -2.339 4.220 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -2.962 0.248 4.512 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 0.652 0.438 -2.985 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -42.851 -2.835 3.992 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -5.860 -0.760 -2.457 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 -0.827 -9.408 -5.461 1.00 0.00 SBOX ATOM 315 C4 URA A 17 0.815 -5.379 -3.005 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 -1.980 1.911 -3.281 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 10.057 3.308 7.031 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 -22.543 -16.335 -6.248 1.00 0.00 SBOX ATOM 319 C2 URA A 17 -6.260 7.930 4.100 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 -8.850 -0.761 5.059 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 2.024 -4.657 -1.449 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 -2.236 10.412 -8.948 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -8.525 -2.409 4.603 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 2.352 8.675 -30.793 1.00 0.00 SBOX ATOM 325 O2' URA A 17 9.823 -4.813 -4.157 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -1.844 -0.541 -2.028 1.00 0.00 SBOX ATOM 327 O3' URA A 17 -2.188 1.050 0.801 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -2.666 2.617 -3.160 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 -2.779 -1.312 5.452 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -2.460 3.916 -0.827 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 2.109 2.417 2.128 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 3.631 -4.043 0.832 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 -6.027 9.816 -10.422 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 12.833 -10.783 21.848 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 3.360 -0.610 -2.289 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 11.012 -13.117 -15.636 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 0.617 -0.470 -0.185 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 -10.558 0.560 0.475 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 17.658 -6.531 -5.085 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -0.629 1.768 5.226 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 1.051 0.462 -8.179 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 9.057 -8.703 -17.748 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 0.047 0.376 5.841 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 -11.161 4.302 2.750 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -0.577 -4.342 4.964 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 2.912 2.259 -3.639 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 0.315 0.515 -6.790 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 -13.021 13.356 -8.989 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 10.483 8.110 6.608 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -0.819 0.832 -6.955 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 1.234 -6.270 1.305 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 2.770 16.632 -1.567 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -6.292 -5.797 5.494 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 -2.890 1.898 -6.452 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 8.215 3.582 -3.851 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -16.546 -5.715 3.301 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 5.128 5.016 -1.396 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 12.325 -53.153 21.488 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -3.682 1.062 2.379 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 -1.569 -5.720 4.065 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -3.183 3.058 -3.195 1.00 0.00 SBOX O ATOM 362 P GUA A 19 -0.925 1.471 5.206 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 0.006 5.043 5.217 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 7.611 3.712 -6.937 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -1.598 0.275 5.162 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 14.502 -8.331 1.799 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 13.258 -23.518 8.715 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -10.136 -20.537 8.253 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 12.061 7.781 -1.168 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 15.306 -4.241 -12.399 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 3.951 2.029 0.863 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 6.482 -2.598 3.464 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 19.885 -25.490 0.376 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -0.026 -1.235 3.974 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -4.642 6.782 6.392 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 14.171 -22.108 49.489 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -2.747 -0.649 -2.285 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 0.154 2.235 1.803 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -3.438 3.294 7.627 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 -0.685 2.099 -4.107 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 -8.146 -7.375 0.273 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 -9.198 6.274 17.638 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -0.236 -0.136 -4.580 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 -3.922 -3.623 -7.180 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 -3.391 -1.695 -8.605 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 -30.513 2.285 13.676 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 -1.744 2.188 6.058 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 5.815 9.663 -1.918 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 3.036 -3.520 0.314 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -22.133 17.650 18.609 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 2.927 6.960 -4.941 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -1.562 -19.160 4.724 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 2.154 2.989 3.871 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 2.485 -4.337 15.805 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 -2.534 1.426 -4.746 1.00 0.00 SBOX O ATOM 396 P ADE A 20 -0.245 -2.264 -2.124 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 1.170 1.735 1.542 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 -0.001 6.106 -3.287 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 0.813 -3.391 4.355 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 0.469 3.609 2.799 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 -8.663 -3.700 7.504 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -6.632 15.152 -36.845 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 6.718 -7.262 2.583 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 -11.411 2.799 20.497 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 6.373 -0.746 -5.083 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 2.296 -0.251 4.573 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 -22.871 7.024 -0.215 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -5.012 3.615 -8.419 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -7.711 -1.384 -1.639 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -15.957 11.011 -15.873 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 -3.636 7.724 -2.873 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -0.177 2.512 0.607 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 3.468 -0.580 8.607 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -0.707 -1.437 4.386 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 -5.310 32.762 14.722 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 9.657 -1.308 22.916 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 2.425 -1.781 -7.622 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 1.438 5.072 -2.726 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 -6.064 12.396 3.619 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -8.242 7.389 -0.118 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -4.190 7.024 5.995 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 3.568 7.475 -5.675 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -30.170 17.437 -7.083 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 1.924 -3.355 -2.661 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -15.813 7.916 8.026 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 1.749 -2.545 4.130 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 40.947 -17.455 -13.277 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 5.298 -0.844 1.026 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -2.924 5.919 4.326 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 6.302 6.170 -5.620 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 0.167 1.922 0.449 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 -7.396 -3.030 5.107 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 4.613 -0.089 2.099 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 1.803 -21.984 13.628 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 1.585 10.704 -39.237 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 1.837 0.855 6.935 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 17.565 1.373 7.371 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 7.187 11.508 -4.366 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -1.400 -8.087 -9.751 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 1.793 -5.618 -13.524 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 1.614 -0.656 -4.046 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 -1.803 -0.492 -0.088 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 -1.710 9.404 20.429 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 -5.706 -3.435 -2.098 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 -0.474 -3.865 2.876 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 -1.156 -2.987 3.647 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 1.327 3.646 -3.854 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 0.810 2.209 0.947 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 1.146 4.250 -9.933 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -1.971 -2.643 -6.297 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 3.791 -6.755 1.663 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 -1.272 -8.060 22.811 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -1.716 -6.073 -1.554 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 2.283 -4.774 1.741 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 -3.582 0.515 -2.018 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 4.632 2.263 -3.611 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -18.367 8.478 -17.774 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 3.099 0.112 -3.674 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 -3.113 6.142 23.845 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -4.898 -4.552 1.134 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 3.005 6.457 -8.175 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 5.425 5.821 -1.476 1.00 0.00 SBOX O ATOM 463 P GUA A 22 5.403 -2.863 0.455 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 0.252 -3.037 -5.132 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 3.655 -0.207 -0.191 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -3.113 12.683 -8.708 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 1.649 7.543 -0.753 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 -27.060 19.141 21.745 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -2.466 16.219 1.139 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -6.388 10.803 7.392 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 -10.707 13.979 -1.405 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -0.121 1.197 -1.779 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -3.171 2.921 1.513 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -5.152 6.292 16.137 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 1.865 -3.250 4.677 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 -4.632 1.153 -0.028 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -6.004 3.590 -15.087 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 5.774 -2.462 3.280 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -0.094 -4.801 -2.291 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -8.366 0.279 3.573 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 9.174 0.895 -0.716 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 6.673 -4.591 2.470 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -7.131 14.947 -12.355 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -0.241 -0.456 -4.916 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -10.183 12.390 -3.286 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 1.931 -1.239 4.453 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -18.076 -7.774 21.926 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 2.232 3.790 3.515 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 -2.215 -5.534 3.314 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 3.532 3.871 -3.291 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -2.587 1.486 -9.200 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 -3.145 -8.685 6.956 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 4.077 -8.385 -2.559 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 1.215 -7.246 -7.089 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -8.251 10.150 -1.586 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 -1.875 0.950 0.107 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -2.133 1.323 0.899 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 1.724 0.008 3.535 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 -2.845 1.176 -5.089 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 3.943 -3.134 -0.973 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 0.527 4.735 -0.090 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 -9.404 3.350 1.638 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 14.972 -1.619 -2.668 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 -0.710 -1.962 4.088 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 -31.608 10.742 -45.498 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -3.088 8.144 -2.091 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 0.919 -0.274 -3.004 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -10.587 18.640 25.382 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -7.978 1.400 3.401 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 4.008 -0.528 -4.768 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 -15.335 12.893 -3.528 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 3.986 0.554 2.023 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 1.460 2.811 3.429 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 -4.738 1.277 -0.755 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 7.567 -0.528 2.475 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 8.301 -2.233 -1.130 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -26.439 1.190 -4.134 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 3.431 -2.871 5.890 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -3.862 0.058 2.748 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 21.977 5.088 -6.701 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 -9.191 -22.666 14.831 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -1.367 4.778 2.697 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -8.115 -3.230 2.148 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 3.007 1.737 2.278 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 2.894 -6.036 11.949 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 -2.027 -1.619 -1.066 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 3.536 2.143 -13.519 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 2.563 -1.534 8.249 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 -1.449 4.889 10.200 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 -2.597 -5.815 -4.286 1.00 0.00 SBOX O ATOM 531 P ADE A 24 0.366 0.621 -2.314 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 0.266 1.707 4.284 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 4.803 -1.003 0.009 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 -5.775 2.441 1.507 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -11.016 -0.882 -1.500 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 -8.101 4.587 -1.924 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 0.540 13.217 17.618 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -4.351 -2.983 3.361 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 2.245 -7.228 -16.253 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 7.609 -0.832 4.665 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 -0.462 -1.430 -1.485 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -9.682 0.019 2.642 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 -1.832 -4.308 -4.600 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 7.119 4.103 -3.980 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 -3.933 18.866 15.656 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -7.377 2.701 -1.551 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 6.124 0.771 2.431 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 9.137 -1.478 12.669 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 -0.546 -6.669 -0.220 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 -9.060 1.880 6.339 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 6.331 12.760 -6.635 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 8.633 -3.291 1.703 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -1.297 -5.568 9.704 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 2.979 26.624 19.581 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 5.601 -0.095 0.172 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 -5.132 6.739 -8.110 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -0.570 3.290 -4.636 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 6.054 -14.653 12.559 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 0.956 -5.041 -5.965 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -31.704 -9.434 -13.967 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 4.991 0.759 -1.564 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 21.614 -12.133 38.630 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 0.334 5.738 -0.970 1.00 0.00 SBOX O ATOM 564 P CYT A 25 -2.052 -2.272 -4.620 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 -5.109 3.917 2.091 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 5.054 2.777 -0.990 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 8.297 -3.988 -0.357 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 3.892 5.623 1.550 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 14.400 1.558 0.991 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -11.883 -25.979 -6.838 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 -2.247 4.880 -1.137 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 11.346 5.825 -24.965 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 -1.216 0.790 -1.288 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 7.489 -6.882 -4.317 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 -8.035 -0.339 3.502 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 3.582 -7.428 -1.099 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 -1.055 -0.938 -3.160 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -1.491 11.787 11.275 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 0.212 4.666 -6.901 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 -20.264 7.110 6.639 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 3.394 2.531 3.282 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 6.159 0.054 3.272 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 15.696 4.731 22.282 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 18.552 -5.837 -9.734 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 5.589 0.659 -2.887 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -1.675 8.167 -3.208 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 3.385 -1.887 2.583 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -6.775 9.855 4.085 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 3.528 -25.947 -17.214 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 1.753 5.652 5.361 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 15.693 -0.880 -0.024 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -4.464 -4.087 -4.799 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 -12.893 -1.623 -11.049 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 -0.559 1.738 -4.391 1.00 0.00 SBOX O ATOM 595 P URA A 26 3.162 -2.428 2.879 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -1.657 3.446 -0.433 1.00 0.00 SBOX ATOM 597 O2P URA A 26 9.035 3.070 -1.884 1.00 0.00 SBOX ATOM 598 O5' URA A 26 -3.571 -16.300 -3.956 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 1.833 0.357 6.263 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 -1.952 6.685 6.280 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 4.134 17.389 5.267 1.00 0.00 SBOX ATOM 602 C4' URA A 26 3.436 -0.627 -2.357 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 16.559 6.155 -4.354 1.00 0.00 SBOX ATOM 604 O4' URA A 26 2.848 4.497 -3.577 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 -7.571 -1.833 4.035 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 -9.690 8.075 24.676 1.00 0.00 SBOX ATOM 607 N1 URA A 26 5.878 -0.599 -1.099 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 -1.577 5.866 -7.139 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 -14.408 27.119 5.058 1.00 0.00 SBOX ATOM 610 C5 URA A 26 -4.439 7.618 4.193 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 4.205 7.013 -5.868 1.00 0.00 SBOX ATOM 612 C4 URA A 26 -0.339 3.331 4.030 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 0.447 -4.672 8.491 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 0.700 2.650 -2.380 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 -4.546 9.452 -5.003 1.00 0.00 SBOX ATOM 616 C2 URA A 26 2.882 1.152 2.686 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 2.661 0.619 3.578 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -3.925 0.171 -3.258 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -37.574 -9.128 -8.486 1.00 0.00 SBOX ATOM 620 C2' URA A 26 1.571 -2.608 -1.559 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -10.044 3.856 11.109 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -1.622 7.804 0.244 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -18.259 14.576 5.800 1.00 0.00 SBOX ATOM 624 O3' URA A 26 5.414 0.500 -1.234 1.00 0.00 SBOX O ATOM 625 P GUA A 27 -0.559 -3.639 -0.704 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 3.359 9.571 2.017 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 -2.185 -2.546 -2.142 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -1.908 4.670 -5.332 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -1.660 -0.601 1.586 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 14.379 8.983 1.853 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 4.139 -27.602 12.304 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 8.983 -5.224 6.263 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -1.020 -3.138 5.226 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 2.228 9.411 7.555 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -0.808 -9.319 -8.910 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 4.289 -9.501 -4.462 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 1.442 -0.355 -2.227 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 7.390 -2.512 -2.643 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 8.156 16.245 -3.330 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 -8.503 6.013 -5.300 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 -2.301 0.743 -5.974 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 -4.061 -3.179 -6.456 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 3.769 -7.200 -1.384 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 -4.119 2.083 -5.837 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -12.456 -24.807 4.103 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -1.349 4.762 -3.238 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -1.347 1.855 -1.347 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -3.814 -5.794 9.681 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 4.213 3.724 9.002 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -2.329 -1.685 2.287 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -2.849 -4.437 -0.525 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 2.726 -3.420 0.279 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -19.364 4.043 -1.007 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 4.835 -2.048 0.393 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 15.914 12.003 2.879 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 3.996 0.807 0.281 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 8.841 -2.552 7.808 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 -2.873 2.840 -2.920 1.00 0.00 SBOX O ATOM 659 P GUA A 28 1.645 0.262 4.046 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 6.863 4.928 -1.329 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 0.609 0.033 -1.239 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 -0.181 -0.773 3.694 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 -8.199 -2.435 -6.716 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 24.379 7.301 -4.776 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -27.340 -0.305 17.142 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 4.690 1.602 -11.261 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -7.766 3.258 -19.468 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -1.619 0.983 -1.223 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 -1.983 -4.569 5.161 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 -16.549 -4.747 -4.413 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 2.392 -4.306 -0.528 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 -6.862 -6.537 1.047 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -24.561 -11.985 -23.698 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 7.531 -4.269 -0.285 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 -2.137 -3.685 5.224 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 -0.071 8.283 5.312 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 4.483 -0.208 -5.358 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 4.212 5.344 -4.127 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -15.328 -12.854 1.425 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 -1.238 -1.354 0.824 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 7.849 3.796 -3.710 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 5.374 4.193 -6.878 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 -22.050 46.320 -14.844 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 5.770 -3.314 -4.327 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 4.559 -1.413 -5.152 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -4.345 -6.863 -6.964 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 3.329 -9.725 8.768 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -1.372 1.008 -0.508 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 -18.046 -2.563 13.405 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -5.748 -1.873 0.749 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -4.310 16.535 -2.632 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -1.500 3.697 -2.804 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -3.917 -5.131 2.187 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 6.283 -1.774 0.840 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 0.503 2.284 2.048 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -4.577 -6.204 0.910 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -5.812 -2.990 0.397 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -9.430 -1.171 2.066 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 2.093 -13.893 -2.461 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -3.260 5.168 -5.936 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 8.983 -24.861 18.301 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 -4.869 3.635 0.696 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -4.105 3.178 1.536 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 -18.376 8.282 -7.831 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 0.272 8.493 7.685 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 11.781 -2.727 6.238 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 14.671 7.429 -7.197 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -5.605 -0.012 -8.581 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -2.489 -32.907 17.006 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 -7.960 -0.140 6.427 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 6.270 6.026 -1.560 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 3.092 12.417 -5.498 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -6.228 2.282 -17.766 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -0.093 5.616 1.055 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -3.114 -3.522 7.782 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 1.333 -5.172 1.884 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 1.446 3.502 -8.958 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 -6.089 -15.788 -27.701 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 2.307 -8.282 -6.440 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -2.343 8.005 40.665 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -0.443 4.658 2.798 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 3.842 -2.876 -4.924 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -17.223 5.161 -14.053 1.00 0.00 SBOX O ATOM 724 P CYT A 30 3.613 1.231 -0.615 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 2.623 3.022 -4.209 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 -2.814 -0.645 4.607 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -1.420 0.127 -8.776 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 10.487 1.474 5.566 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 0.335 -13.192 13.228 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 -2.258 0.060 -22.637 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 5.679 2.070 0.946 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 1.242 -6.060 -17.939 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 6.879 0.400 -0.949 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 2.868 2.109 0.830 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 -8.070 -10.137 0.330 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 -3.000 1.922 -3.760 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -4.385 5.512 0.524 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 23.261 2.366 -29.138 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 3.722 -0.782 3.681 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 0.073 8.854 -6.192 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -1.403 6.193 -5.760 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 0.468 -4.823 -0.250 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 -16.614 35.408 -15.802 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 11.719 2.529 -14.597 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -1.427 0.657 2.551 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 -3.541 10.159 8.482 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 3.374 0.343 6.369 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 -5.438 -6.229 5.076 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -14.111 18.393 -12.497 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 2.519 5.217 -1.919 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 16.697 -4.691 4.092 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 1.742 3.237 -1.707 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -2.497 7.650 -5.934 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 0.716 -2.169 0.365 1.00 0.00 SBOX O ATOM 755 P CYT A 31 -1.650 1.284 0.346 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -2.759 0.219 1.667 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 -3.179 -0.921 3.347 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -1.498 4.129 0.711 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 -0.863 6.673 -1.893 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 12.269 14.767 16.646 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -15.917 11.755 20.057 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -0.939 4.104 4.919 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 20.094 9.690 25.129 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 0.490 3.448 -0.941 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -5.080 1.398 -5.021 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -12.509 18.634 -9.184 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 5.950 9.654 -0.020 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 -5.949 6.874 0.798 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -0.899 -2.215 8.686 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -0.243 -6.280 0.586 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 8.318 -3.480 -2.783 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 12.526 -0.927 -9.779 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -0.921 -0.712 -6.501 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 -22.590 29.700 -5.438 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 31.232 -1.276 -5.705 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 -11.268 -3.538 5.110 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 0.573 -7.665 -0.987 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 0.163 -6.729 1.933 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 -10.194 3.254 5.788 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -19.315 3.869 -4.362 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 -2.152 0.942 -2.829 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 2.049 5.768 8.113 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -5.090 2.776 1.901 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 -8.613 0.269 5.856 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 -4.860 1.909 0.725 1.00 0.00 SBOX O ATOM 786 P GUA A 32 0.834 5.522 -5.660 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 0.238 0.994 2.806 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 2.769 0.733 2.667 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 -1.925 2.922 -5.119 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 -0.297 2.801 -7.535 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -48.709 5.987 -25.333 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -0.208 12.668 10.068 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 2.644 2.618 -4.071 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 0.556 -15.136 15.978 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -8.740 -3.296 2.688 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -1.366 -1.148 2.174 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -3.400 3.918 1.432 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -3.960 6.335 0.439 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 2.326 -2.674 -1.201 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 5.863 -12.949 9.666 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 4.928 -2.903 -3.834 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -3.520 6.071 -4.351 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 2.909 8.040 2.282 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 2.520 3.332 1.904 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 2.591 4.449 3.111 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 0.563 -13.078 21.031 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 5.157 9.321 0.084 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 0.192 -4.470 0.831 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -10.867 -24.906 -4.027 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -1.961 -12.931 16.212 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 -3.853 -14.277 2.137 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -4.556 5.672 3.772 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -1.355 -3.778 0.524 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 -16.554 0.403 -1.130 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -3.444 -2.606 -5.643 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 12.694 -4.434 4.338 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 -8.441 5.063 -4.777 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -11.825 28.363 0.022 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 2.379 0.805 4.089 1.00 0.00 SBOX O ATOM 820 P ADE A 33 3.280 -1.682 -2.095 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -3.479 -0.133 -1.707 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -3.354 0.508 7.937 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 0.202 0.576 2.151 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 1.648 -4.618 -5.770 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 19.802 9.387 2.872 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 11.630 -31.089 1.904 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 0.110 -2.081 10.912 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -12.098 -16.559 -8.128 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -3.711 -4.160 2.398 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 -5.182 -4.540 4.585 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 9.018 -1.708 10.595 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 -5.443 -0.821 0.871 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 7.798 3.132 -4.750 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 -12.588 2.907 -9.771 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 -1.552 -4.625 1.919 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 4.001 2.841 -3.454 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 2.589 7.741 5.343 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 0.756 1.867 -3.044 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 11.282 9.631 1.623 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -6.361 5.134 19.550 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 4.014 2.770 6.443 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 -5.479 -13.905 -0.243 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 -3.862 -8.071 18.974 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -3.215 2.121 -6.888 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -6.339 -3.250 -3.424 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 -2.951 -1.687 5.356 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -20.649 0.673 21.160 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 -0.708 -3.202 -1.878 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 -4.243 -5.792 -9.871 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 -4.330 -2.983 -9.002 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 11.365 13.093 -8.172 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 0.120 5.567 1.945 1.00 0.00 SBOX O ATOM 853 P URA A 34 5.005 1.627 -2.952 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -8.309 -8.088 -6.247 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -0.703 -1.816 4.693 1.00 0.00 SBOX ATOM 856 O5' URA A 34 -0.640 0.594 1.027 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 -0.444 5.033 8.408 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 7.084 -7.358 10.360 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 10.323 4.487 20.197 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -0.882 -1.598 6.430 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 5.321 0.153 -8.684 1.00 0.00 SBOX ATOM 862 O4' URA A 34 1.395 6.151 0.957 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 0.647 2.700 -1.001 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 12.759 7.198 -5.648 1.00 0.00 SBOX ATOM 865 N1 URA A 34 2.494 5.556 3.764 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -0.054 0.397 -0.522 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 -4.615 10.843 -5.648 1.00 0.00 SBOX ATOM 868 C5 URA A 34 -2.597 2.236 1.513 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 13.497 11.195 19.660 1.00 0.00 SBOX ATOM 870 C4 URA A 34 3.398 7.596 -5.298 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -0.662 -1.261 -6.009 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 -5.935 9.515 -3.352 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 -9.349 36.152 33.206 1.00 0.00 SBOX ATOM 874 C2 URA A 34 3.096 -4.065 3.312 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 4.246 5.932 -2.269 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 -1.824 -4.694 8.256 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 19.464 2.357 4.736 1.00 0.00 SBOX ATOM 878 C2' URA A 34 0.603 -0.455 -5.257 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 4.467 -8.529 -15.440 1.00 0.00 SBOX ATOM 880 O2' URA A 34 4.541 5.413 -0.254 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 -8.219 -7.061 2.208 1.00 0.00 SBOX ATOM 882 O3' URA A 34 6.586 0.639 0.294 1.00 0.00 SBOX O ATOM 883 P GUA A 35 5.038 1.668 -3.417 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 -2.864 -5.195 5.611 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 2.545 1.368 2.518 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 5.964 -0.587 1.011 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -1.870 3.677 -3.863 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 15.020 -19.040 -7.090 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 -10.296 2.727 -16.637 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 0.186 -0.836 -2.498 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 -23.338 -7.594 15.025 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 0.496 -7.811 6.173 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 1.168 2.419 4.312 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 -9.438 9.876 -16.906 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 0.292 0.720 6.931 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -3.350 0.521 6.776 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -3.958 3.351 20.256 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -3.259 -3.737 -3.401 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 6.441 -1.336 -2.780 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -3.313 -2.835 0.515 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 3.853 3.541 2.762 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -3.590 -1.158 0.958 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 -11.190 10.795 3.750 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 1.554 1.960 11.499 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -7.066 -3.571 -2.921 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -12.600 3.681 -8.896 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 3.554 -10.770 -12.337 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 -0.807 7.701 -2.859 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -3.291 1.610 -2.315 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -3.018 0.340 -1.634 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 20.349 6.125 -6.640 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 0.270 6.626 -1.745 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 -3.408 12.052 -4.418 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 1.644 2.771 -6.312 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 2.824 1.003 -7.118 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 2.803 -5.027 -0.832 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -0.248 -0.278 0.904 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -2.964 -5.880 1.319 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 0.233 -0.035 0.701 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 6.935 0.821 2.285 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 -1.724 -5.321 3.040 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 13.814 11.078 0.886 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 -8.683 -9.741 -13.140 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -9.680 3.351 0.120 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 -14.017 5.160 -29.781 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 -0.832 -3.672 3.518 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 2.418 -3.043 4.027 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 8.771 0.893 6.351 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 -2.552 0.592 -5.099 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -0.330 -3.370 4.934 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 11.458 -19.192 -18.329 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 -1.668 6.203 0.503 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 3.877 5.287 7.427 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 -4.133 4.545 -4.728 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -5.117 -2.073 -7.494 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 -2.503 0.533 -17.724 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 2.982 0.274 -13.466 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 1.073 -8.625 4.778 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 0.709 3.700 -2.200 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -9.368 0.713 13.766 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 2.363 -0.886 -1.850 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 1.440 -3.758 -3.593 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 4.933 6.144 -0.119 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -11.578 7.752 12.774 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -0.108 -7.759 1.491 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 -8.104 30.067 -7.507 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 5.562 -2.212 -3.619 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -0.830 15.246 -5.712 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 1.944 -5.480 -0.638 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -3.434 4.060 -0.103 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 2.450 4.389 1.706 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 -2.146 1.022 -1.142 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 4.126 5.153 -0.862 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 -2.666 -1.002 0.951 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 -7.808 3.031 -1.082 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 -18.385 13.269 -0.249 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 -2.605 -0.504 4.360 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 -3.728 -2.010 -0.163 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 -5.823 3.383 -2.522 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 1.240 -8.743 6.683 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -3.155 9.940 -12.966 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 0.876 3.533 4.196 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 -0.199 -1.444 -5.301 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 6.564 -15.923 1.472 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -1.612 -1.413 2.813 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 5.148 2.431 9.043 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 0.932 -0.776 -7.149 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 7.331 -7.352 3.440 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 14.717 -14.210 -5.734 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 11.701 -17.835 -20.433 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 1.833 7.044 -6.583 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 -1.337 -0.204 -3.722 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -7.587 -2.642 16.043 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -1.795 3.801 -4.295 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 -3.262 6.706 -1.789 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -3.403 5.470 1.317 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -22.457 -7.538 14.929 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 7.453 0.974 -1.661 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 13.140 9.566 -20.284 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 0.937 -0.429 -2.189 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 20.653 -17.533 -4.301 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 5.740 -2.815 -3.272 1.00 0.00 SBOX O ATOM 983 P ADE A 38 2.162 1.758 1.573 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 -3.661 3.377 -2.474 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 4.330 2.955 1.610 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 4.882 -2.043 -6.368 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -3.983 -1.245 0.214 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 -5.850 11.947 -24.782 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -40.288 -20.356 -3.831 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 -1.917 -3.989 11.905 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 0.190 -2.750 6.321 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 4.993 2.824 2.113 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 4.425 -0.983 -1.954 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 5.482 7.399 7.098 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 2.424 -1.212 6.540 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 1.400 -3.736 4.121 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 -11.753 7.903 31.825 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 7.451 8.076 -7.092 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 -1.140 4.948 -0.249 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 0.017 2.754 2.875 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 4.804 -0.063 -1.407 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 6.576 -11.330 -24.963 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 15.417 -12.254 -16.630 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -2.419 -0.336 -0.339 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 1.621 -6.792 -2.102 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -0.563 -0.829 20.449 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 1.246 -1.590 1.839 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 -6.141 -1.271 -2.733 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -6.440 3.512 -3.962 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -7.823 17.568 -6.055 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -9.696 -4.887 -2.105 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -6.899 -2.978 0.670 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -2.081 4.785 -1.996 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 5.882 6.493 -1.034 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -0.720 2.513 3.761 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 3.443 -2.825 -2.461 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 -3.092 -3.255 -3.021 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 5.007 -2.516 -3.101 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -2.050 -4.441 1.890 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 9.563 2.584 3.504 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 7.033 23.103 -16.826 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 0.081 -0.879 3.841 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 -0.980 -8.750 -2.015 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -15.182 3.578 5.868 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 -3.860 2.827 0.645 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 2.818 3.046 6.770 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -5.625 5.764 4.081 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -0.274 -6.377 -6.571 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 -0.636 1.852 -0.646 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 -17.285 -10.534 3.537 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 -1.198 3.198 3.497 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 -0.427 3.180 3.970 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 -8.586 5.611 3.817 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 0.446 0.703 -0.958 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 -16.140 -23.303 -10.632 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 -3.557 6.418 -20.887 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 0.851 -1.408 -6.608 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 0.718 -5.353 1.952 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 0.422 2.284 9.178 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 -0.544 4.111 0.112 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 9.457 -12.070 -39.560 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 3.032 3.121 5.821 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 2.948 5.582 -11.642 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 0.827 -6.001 5.778 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 10.590 5.394 7.460 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 3.296 2.335 0.289 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 1.224 -5.819 2.214 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 -1.791 -0.126 -10.900 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 6.752 5.533 -4.743 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 2.302 3.553 5.594 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -3.842 2.586 -4.812 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -1.818 17.670 3.993 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 -15.860 -34.495 11.213 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 -4.938 -5.270 -3.407 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 16.430 -11.627 -19.666 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 1.230 -7.702 -1.325 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 -0.263 -7.445 -4.353 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 -12.632 -15.594 -11.334 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 6.085 2.696 -6.578 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 1.983 0.427 1.192 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 15.274 -2.622 -12.686 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 -5.191 -4.208 2.401 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 10.932 -0.623 -2.749 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 5.887 -11.762 2.252 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -9.027 5.695 3.040 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 10.627 45.192 -8.397 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 2.433 9.597 12.449 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -2.342 6.125 -5.041 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -1.917 -0.417 -0.448 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 -1.083 3.599 -8.440 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 1.697 -9.124 4.411 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 9.951 -12.064 -0.525 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 -2.656 2.855 -1.708 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -3.542 -0.258 18.267 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 3.607 0.723 3.998 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 -7.285 6.392 -3.151 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 0.221 3.684 -3.808 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 0.620 2.130 2.055 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 4.675 5.109 -2.993 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 1.492 -3.883 1.544 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 3.048 1.077 0.814 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 2.345 0.920 0.140 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -34.490 30.979 -14.858 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 1.946 18.553 -11.075 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 3.136 -1.143 -2.905 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 -8.526 0.016 20.561 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -2.524 -3.437 -2.487 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -3.464 4.495 -0.550 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 -9.328 8.102 -0.687 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 -5.258 3.489 -2.489 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 4.132 -0.096 0.043 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 2.151 9.389 -7.772 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -1.216 1.839 -4.028 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -8.020 -13.711 -5.566 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 1.063 -9.235 4.222 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -6.731 -5.219 3.699 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 -24.970 -20.217 27.963 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 -4.925 1.106 4.739 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 2.423 -4.132 1.283 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 1.371 -5.854 2.340 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 1.138 -3.595 -0.794 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 2.379 -1.671 -9.329 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 -5.225 11.530 8.553 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 6.567 -2.414 -1.442 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 -20.524 20.608 16.551 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -5.147 3.144 -4.982 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -1.038 3.598 9.323 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 -0.993 -3.173 4.408 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -1.064 4.015 -3.461 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 4.193 0.780 1.373 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 -0.272 0.909 -7.003 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -1.284 5.400 1.203 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 1.323 -1.377 3.162 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 12.568 -16.332 1.855 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -12.066 -3.903 -33.258 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 0.940 8.491 0.553 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 -1.114 3.877 0.083 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -2.169 -2.167 -2.011 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 8.055 -2.070 -0.165 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -14.660 6.035 -4.947 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -3.831 4.657 2.195 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 0.187 -0.646 -9.080 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -29.900 1.389 -11.653 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 2.554 2.563 6.965 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 2.613 6.095 0.899 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 3.053 7.153 -1.232 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 1.047 2.024 -5.036 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 1.918 6.698 -0.853 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -22.354 -4.502 -28.061 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -4.305 -1.204 5.028 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -0.106 6.868 3.518 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 -19.825 -9.474 -21.069 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 21.149 -23.030 -28.701 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 7.978 1.784 4.060 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 -0.493 4.785 1.411 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 9.842 4.278 5.473 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 18.494 22.857 1.868 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -2.296 9.673 3.409 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -7.852 -8.271 -30.371 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -7.732 -3.768 -2.732 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 2.966 -8.283 10.474 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -0.988 5.390 -2.260 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 4.863 0.758 1.984 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -1.477 -10.272 -4.369 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 0.495 4.078 4.618 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -0.454 -4.356 -3.950 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -3.233 -3.811 -0.744 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -7.446 -15.779 -8.586 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 -5.916 4.146 -25.781 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 3.126 -5.037 5.126 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 -5.733 -4.687 9.752 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 3.678 2.017 4.298 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -4.964 1.572 -10.141 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 -9.202 7.003 -19.001 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 0.953 1.544 3.802 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 -4.878 5.382 7.424 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 5.487 5.951 -23.888 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -7.693 0.400 0.531 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -0.468 4.137 -4.049 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 -5.844 5.101 -0.013 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 5.728 4.457 -2.932 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 1.502 9.332 6.585 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -9.452 -2.807 5.509 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 10.671 -9.142 2.563 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 6.198 -3.958 -4.485 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 -1.875 7.336 16.451 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 -3.845 -14.215 9.565 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 2.649 3.266 4.274 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 -9.373 2.078 -0.767 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 -0.061 -1.925 -7.036 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 16.489 14.055 -17.807 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 2.467 3.117 3.313 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 4.202 0.854 1.903 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 0.999 -8.174 1.964 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 25.782 15.209 -12.097 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -1.195 -5.414 3.953 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -5.446 -0.892 1.721 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -0.965 -1.054 0.723 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -7.328 -1.089 3.099 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 0.149 -2.003 -2.998 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 8.458 4.763 -0.330 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 -17.563 -10.929 -10.703 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 9.968 -15.831 22.504 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 6.321 -0.431 3.707 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 1.184 17.244 -13.563 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 5.516 -0.369 3.466 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 -5.624 6.315 -2.445 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 5.915 11.294 14.975 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -1.249 8.943 -2.223 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -4.431 3.632 -0.611 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -27.547 -23.320 16.039 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 4.828 -3.088 -4.531 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -3.089 -4.514 -13.291 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -2.206 -6.001 -5.144 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -2.437 0.602 2.690 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 1.783 5.294 0.059 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -9.045 -1.548 -17.102 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 -5.823 0.692 -2.570 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 -3.157 14.668 3.330 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 -3.969 1.113 0.323 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 -0.496 -11.050 8.041 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 4.346 -12.101 8.403 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -8.863 -6.740 -0.638 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 13.292 2.944 -3.741 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 1.946 -0.147 1.429 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 7.761 25.191 25.239 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -5.797 0.118 -3.058 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 -0.466 -0.819 -1.215 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 2.864 0.624 -2.530 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 2.373 -3.190 1.572 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 0.415 2.625 -6.118 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 -3.809 2.003 -0.022 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 6.122 9.129 1.883 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 11.663 -22.962 -18.373 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 1.480 3.407 -2.260 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 4.062 -1.233 25.016 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -1.764 0.232 0.553 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 2.263 3.241 -0.454 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -0.965 -8.207 3.981 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 0.480 -5.418 0.116 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 -3.754 4.129 0.565 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 6.529 2.710 -12.483 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -1.376 3.948 -2.026 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 3.330 1.704 9.527 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 -3.541 -0.900 -6.081 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -1.127 4.080 -5.161 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -3.095 10.020 -7.773 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -19.914 -7.407 13.641 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -0.535 4.908 -4.800 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 -7.767 -1.412 5.638 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -2.704 8.160 -1.089 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 2.481 3.148 8.284 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -4.277 -8.090 -4.241 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 1.880 3.972 0.220 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -19.579 -11.251 -7.893 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 -0.932 -0.651 -3.230 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 15.519 -10.137 6.672 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 0.652 3.334 4.372 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -4.652 -2.622 18.214 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 0.686 -1.400 -3.326 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 0.805 -0.017 -1.831 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 4.062 -1.356 0.994 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 -2.737 3.291 1.990 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -2.339 -1.107 -0.662 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -1.057 -5.863 -6.116 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -4.826 38.250 -24.359 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 10.524 -17.086 -18.094 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -5.457 -8.285 2.162 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 0.083 -2.477 -0.287 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -5.234 -6.400 0.393 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 0.364 5.396 6.177 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 1.270 6.839 2.019 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -0.093 3.577 -5.706 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 4.903 -0.321 -0.495 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 37.752 -21.655 -37.918 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -1.637 3.842 1.939 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 -3.078 1.136 -4.884 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 2.356 -4.908 -11.395 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 -3.760 2.357 -0.811 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -6.094 -2.406 -8.812 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 -3.395 14.457 -14.347 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -7.044 5.544 -3.904 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 -3.342 4.149 0.429 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 2.444 -5.455 -7.182 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 -2.637 -3.816 -5.057 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 -3.644 -0.336 1.879 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 -0.429 -5.426 -1.248 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 3.993 -2.755 -19.190 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 -6.583 -7.805 8.568 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 -19.327 -13.949 -12.043 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 -5.543 2.402 -1.286 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 17.795 6.396 12.198 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -3.386 1.809 -7.016 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 -5.500 2.371 5.056 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 0.497 0.765 -8.614 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 2.898 -7.824 -7.968 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 1.066 0.386 -1.610 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 6.630 1.129 -2.633 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 9.578 12.769 -9.051 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 0.979 6.244 -2.942 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 3.185 4.129 -5.215 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -2.361 5.281 4.439 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -2.279 0.210 2.961 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 4.768 5.357 6.261 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -1.290 -1.945 -4.523 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -3.975 0.082 -3.584 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -0.760 5.957 -11.465 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 -18.080 32.345 4.749 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -0.917 -9.217 -6.646 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 13.412 6.557 -25.309 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 6.016 2.617 3.992 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 1.075 3.008 -1.669 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -32.267 33.133 10.833 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 -14.703 -11.106 20.864 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 2.145 -1.441 -5.251 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -4.007 0.134 -2.853 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 0.563 0.202 2.661 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 5.397 0.985 2.928 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 -18.989 -9.380 23.940 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 -2.357 4.016 1.468 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -19.790 11.090 -6.476 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 5.421 3.553 1.363 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 7.181 -5.795 -4.467 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 1.886 4.056 7.763 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 1.100 -6.162 -5.358 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 3.783 3.881 -0.120 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 4.457 -0.786 4.383 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -1.359 0.340 -2.457 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -2.124 -9.173 -2.810 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -15.581 -17.905 2.514 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 9.072 11.799 2.924 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -0.114 -4.615 5.890 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 -2.135 -24.255 -4.082 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 -5.979 -2.790 -6.523 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -2.724 2.200 3.029 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 -12.101 19.608 -4.682 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 -1.431 -5.056 -1.618 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 5.688 8.823 3.641 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -9.291 10.196 -0.195 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 1.736 6.188 -0.627 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -15.075 4.056 32.758 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 0.366 -0.363 -0.424 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 -5.230 3.148 1.826 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 9.097 -4.954 -1.219 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -5.322 -8.676 16.912 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 -4.960 -1.529 -6.834 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -4.501 -0.916 -3.026 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 1.595 -5.219 2.404 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 6.786 1.974 -2.936 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 6.360 -3.116 -4.007 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -0.104 -6.334 -7.479 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -14.738 -10.514 -1.994 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -2.279 1.477 3.529 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -25.420 5.483 -19.354 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -3.442 -3.388 5.351 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 0.140 -3.581 0.680 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 -0.123 1.709 -3.944 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 0.780 -1.151 -1.100 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 1.591 1.554 1.503 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 -4.669 2.444 4.691 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -11.250 0.109 -11.535 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 -4.055 15.114 6.774 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -3.968 11.571 -1.438 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 1.184 7.171 -7.540 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 2.986 -0.582 0.055 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 -0.916 1.825 -1.743 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 2.388 3.160 7.719 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 0.474 -2.108 0.625 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -2.432 -2.569 -4.143 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -7.816 -3.747 -5.359 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 0.611 -5.035 9.615 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 2.520 1.753 1.977 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 2.856 4.625 -1.480 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 8.096 -3.520 -1.755 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 3.707 -3.185 0.984 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 -10.319 1.404 1.181 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 0.547 1.923 -4.964 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 -0.852 5.812 -7.833 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 32.576 -1.955 -34.503 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 -3.159 -4.442 4.321 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 10.314 1.146 1.077 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 0.976 0.578 1.155 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 9.033 -17.061 -7.873 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 2.039 -7.899 0.190 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 -1.365 -12.816 17.631 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 8.129 1.703 5.442 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 20.943 -16.654 0.771 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 -0.472 -2.099 -5.543 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -0.658 -0.610 -1.996 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 -3.661 3.822 -5.724 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 1.877 -5.026 4.553 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 2.119 8.353 -1.246 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -9.775 5.919 -0.976 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 4.939 -37.534 -8.130 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 9.460 -6.273 17.164 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 -2.586 -0.986 6.244 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 -9.821 11.718 -13.794 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -1.243 -5.737 -1.725 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 0.251 3.799 -5.429 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 -3.792 11.205 5.921 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 5.856 -1.303 -2.433 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 -0.008 2.201 3.617 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 0.814 -7.193 -8.640 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 -4.371 -5.638 -2.086 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 -0.294 -2.472 -10.119 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 -3.000 3.837 0.790 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 1.883 2.566 3.447 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 5.994 -0.661 -1.161 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 9.342 5.028 -1.404 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 2.442 0.766 7.713 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 -0.520 3.496 3.352 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 -12.739 -38.562 -0.518 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -4.163 -11.661 25.574 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 1.359 5.315 0.401 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -2.668 -6.740 -4.439 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -4.121 3.442 -7.812 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -22.739 14.357 -6.722 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 -1.172 -3.964 -2.742 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -2.721 -13.410 17.595 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 -0.285 -0.822 -6.727 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -11.886 -25.098 -9.045 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 -4.383 -4.583 3.615 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 5.078 -2.038 -1.580 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -1.579 3.739 5.149 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 -9.995 -5.666 5.613 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 -2.928 6.096 -2.351 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -4.446 4.022 2.912 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 14.799 -12.810 -0.364 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 43.802 17.155 6.760 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 -5.746 -0.727 -3.401 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 5.710 -9.386 4.190 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 4.862 2.736 -4.842 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 -1.802 -5.094 -0.717 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 3.978 -21.245 38.104 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -0.884 1.256 3.086 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 2.707 -2.081 0.948 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 -8.074 -3.163 6.300 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 -2.283 5.916 5.869 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 3.810 3.097 0.609 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -7.718 3.868 -2.288 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 2.173 0.284 5.327 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 11.216 3.891 10.473 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 4.477 -22.719 -10.059 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 -4.428 4.390 -2.637 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 -0.986 -5.770 4.573 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -1.205 -16.943 -1.169 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 -9.123 0.002 -1.551 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 4.490 -0.335 2.007 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 3.275 -2.288 2.148 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 -6.061 34.274 21.996 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 7.271 8.939 8.577 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 8.058 5.471 2.970 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -0.147 -0.892 -3.202 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 1.350 4.936 -3.659 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -1.187 0.283 -7.143 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -3.746 0.423 1.159 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 4.797 -1.894 2.948 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -1.400 3.929 6.352 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 -4.547 5.831 0.219 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 0.553 0.649 1.326 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 20.214 -13.534 2.757 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 -3.563 6.152 -15.385 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 3.786 3.613 -3.714 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 4.171 -8.382 7.022 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 -4.078 8.448 0.706 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -3.408 -1.355 11.726 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 -8.758 7.400 -4.861 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 -2.702 -1.776 -1.483 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -13.320 0.469 3.032 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -6.191 -1.743 2.491 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 6.032 -1.724 -5.163 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 1.233 -1.568 3.432 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 0.412 -0.904 -3.944 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 1.453 5.802 2.246 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -11.582 8.404 9.114 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 -2.282 6.177 13.577 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 -6.089 3.405 -3.209 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 11.130 -4.079 3.812 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 -3.156 -8.451 -18.544 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 0.502 -5.939 4.838 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 7.520 -0.759 3.620 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -5.083 3.344 -7.616 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 1.148 35.517 -17.079 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 9.327 4.117 -8.521 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 6.754 9.157 -4.543 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 1.856 -8.047 2.739 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 14.804 -14.482 -1.463 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -0.001 -0.336 1.080 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 -3.774 2.228 -0.809 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 3.869 -5.946 1.928 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 -6.611 -3.062 5.657 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 1.019 3.341 -1.577 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -2.063 -3.695 5.104 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 12.192 3.747 39.033 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 -1.848 -14.766 3.911 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 1.540 4.116 0.203 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 -23.873 -5.289 24.127 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 2.780 1.053 0.621 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 1.997 -1.208 6.898 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 18.183 -15.628 26.095 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 7.931 -3.488 -3.286 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 5.401 -1.420 -8.783 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -5.083 -6.934 19.823 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 -7.644 11.192 0.145 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 6.772 -5.089 1.566 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -3.079 10.181 -2.089 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 6.031 1.180 -2.220 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 8.780 -24.036 1.375 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 4.081 -1.737 5.302 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 0.156 -2.396 5.242 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 4.797 -3.426 -10.856 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 2.275 -3.298 5.470 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 -0.819 0.456 -3.038 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 -0.208 -2.433 1.196 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 6.016 -2.741 -0.268 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 28.108 12.256 -25.298 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 -5.792 0.934 9.568 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 -4.774 -6.726 14.770 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 7.412 1.693 0.931 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 -2.851 5.351 1.114 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 -3.017 1.496 -0.794 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -2.490 -1.779 1.043 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 -1.837 1.770 -1.762 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 1.211 -6.409 3.894 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 -2.441 9.495 2.443 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -3.418 -1.575 4.149 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -1.160 -2.317 10.083 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -10.699 2.608 0.060 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 6.177 -1.201 8.841 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 0.361 18.911 -31.064 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 -2.076 1.431 2.135 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -2.473 -1.506 -6.548 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -3.433 7.003 -8.258 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 2.343 -12.828 -2.389 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -5.889 -0.248 2.737 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 -4.846 -6.222 -11.108 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 1.710 -12.313 6.061 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 9.821 -18.701 -0.077 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 13.038 -1.551 -1.279 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -5.180 0.235 3.057 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 3.196 -2.677 -2.651 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 0.917 9.699 12.466 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -4.411 -3.909 3.298 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -3.195 0.347 6.775 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 4.443 -6.630 1.264 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -20.012 -1.302 15.676 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -2.519 1.078 -6.542 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 -16.085 -6.269 -18.097 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 -1.840 6.549 1.439 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -24.035 16.794 -0.670 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 1.324 4.226 -5.850 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -1.489 -6.450 -1.091 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 2.098 -0.037 -1.406 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 -4.236 -7.259 -2.338 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 5.411 2.610 6.823 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -5.503 0.335 -1.226 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 -28.435 -2.007 -14.786 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 -5.026 -12.688 -9.839 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 -5.711 9.695 -7.005 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 -4.293 -1.996 4.014 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -0.058 -2.677 -2.037 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 10.839 -0.461 -4.416 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 -17.810 14.614 -2.279 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 -0.532 8.377 4.286 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 4.251 -3.392 5.962 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -18.677 1.725 25.782 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 0.956 -0.367 -2.557 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 2.979 8.913 1.189 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -3.840 11.175 4.430 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 0.524 -3.469 4.105 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -5.985 2.218 -1.295 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 30.554 -13.072 -20.266 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -4.656 2.424 -3.121 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 1.221 -3.370 -0.236 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 34.098 -12.053 -5.954 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 8.870 13.293 -22.220 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 5.034 -3.019 -0.894 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 -3.340 -0.252 -2.630 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -1.150 -0.532 -1.213 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 10.975 -12.733 -3.361 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 7.910 -1.029 -1.961 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 10.389 -4.127 10.776 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -6.611 3.011 -4.759 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 12.387 10.922 3.608 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 6.343 -2.087 3.642 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 -1.040 3.107 2.061 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 6.835 1.519 -5.495 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -2.587 -5.733 0.907 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 1.040 -1.521 4.568 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 2.086 -0.929 8.147 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 12.016 -2.768 12.410 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 1.677 1.303 8.393 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 -0.988 4.296 -4.536 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -7.640 -19.237 6.224 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 -6.753 4.654 1.259 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -2.015 8.960 6.354 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 8.713 -3.066 -1.215 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -0.644 1.802 -2.231 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 6.805 -5.500 -4.075 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 0.724 -2.966 7.491 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 4.570 2.081 -5.200 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 3.602 6.518 -6.614 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 -2.388 -2.639 -1.033 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 0.698 -7.588 -0.699 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 -3.323 3.824 -2.796 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 2.668 -0.843 -8.679 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 3.135 -4.040 3.826 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 -2.416 8.465 2.293 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -12.395 19.391 -2.542 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 15.541 10.321 -24.624 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -5.086 9.439 4.225 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -4.535 2.217 2.628 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 -3.791 -2.902 -2.861 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 -18.090 0.725 13.756 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 -1.132 -2.318 -3.060 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 -6.074 -10.519 7.390 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 3.065 -7.016 -0.417 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 -12.037 -5.543 -13.821 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 5.683 -4.992 -6.077 1.00 0.00 SBOX O ATOM 1600 P URA A 57 -0.297 -2.376 1.287 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -2.504 -0.278 -0.869 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 0.844 -2.045 6.851 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 5.631 3.330 6.206 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 6.642 8.995 -8.216 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 9.980 11.255 -2.008 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 2.392 1.597 -3.436 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 4.815 -4.923 -2.261 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 8.711 8.415 -7.399 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 2.688 0.707 7.748 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -8.271 -9.308 0.229 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 7.186 16.049 14.557 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 -2.935 6.010 -2.057 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -5.441 -0.033 -4.710 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 10.100 -8.491 -7.572 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -2.204 4.409 4.676 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 -7.998 3.141 7.639 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 2.447 -12.170 1.862 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 -0.226 -0.172 4.400 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 4.408 7.198 1.422 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 4.045 10.634 -24.370 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -2.903 3.999 -6.581 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 3.283 -5.130 0.666 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -2.969 0.840 0.456 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -8.137 17.990 8.488 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 1.399 -6.294 4.977 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -9.114 3.501 -0.378 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 9.043 -3.565 -5.921 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 -5.585 -5.423 -9.110 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 2.239 -2.025 5.402 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 -0.837 0.770 -2.009 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 3.009 -5.575 -6.971 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 -3.885 -0.598 -1.979 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 3.046 3.305 6.426 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -4.254 -1.100 8.502 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -12.918 -16.515 9.466 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 -9.635 9.652 -42.502 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 5.955 -0.654 -3.678 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 -11.467 7.874 15.474 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 2.947 -4.720 -6.729 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 -2.644 0.918 -0.547 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 3.564 -16.561 -8.671 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 3.905 -7.273 3.936 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -6.646 1.322 5.893 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 14.414 2.718 -26.072 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 5.689 -10.137 -4.295 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 -10.341 1.617 6.656 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 -4.908 -3.648 3.430 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -0.130 -2.994 -1.182 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 0.690 4.674 5.810 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 -9.559 -7.631 16.982 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -3.097 1.452 -0.981 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 1.833 -3.551 0.754 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 -0.688 13.950 25.199 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 7.272 -3.569 -1.122 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 3.557 -3.632 -2.620 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -3.573 0.570 -1.386 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 6.584 0.476 7.223 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 6.054 -0.258 4.967 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 -1.944 8.737 6.484 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 16.524 -19.116 -11.417 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -1.437 -1.766 -1.993 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -24.924 -23.099 -11.155 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 -0.354 5.611 2.210 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -2.678 -0.444 -0.675 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 -3.631 -0.638 -5.737 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 3.328 -1.332 -1.674 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 -7.058 0.660 7.900 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 3.786 -6.838 -10.226 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 -11.572 12.060 -1.143 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -0.244 -29.348 3.084 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 2.126 1.584 -1.977 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -1.765 3.392 -3.310 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 0.391 1.348 1.936 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 3.407 0.156 3.544 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 4.103 -26.340 5.321 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 6.795 -5.493 -0.404 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 1.805 -0.143 -9.177 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 1.928 -4.675 -33.237 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 2.261 -5.448 12.425 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 1.939 -9.353 16.188 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 8.974 -4.095 0.274 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 2.866 -0.098 3.847 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 7.859 -2.773 -8.921 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 -3.143 11.184 16.967 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 2.680 -2.648 -2.721 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 -8.173 6.596 -0.048 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 -1.436 3.909 -6.003 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 1.726 0.703 6.057 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -12.899 11.956 1.335 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 0.083 0.253 -0.456 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -6.407 9.032 8.264 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 2.648 6.607 -0.392 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -13.778 -7.042 9.161 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -4.616 5.785 -3.550 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 2.718 -1.008 5.719 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -2.281 1.654 1.378 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 0.497 -0.384 2.903 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 3.985 3.308 3.271 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -3.256 2.590 1.922 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 17.363 0.592 8.744 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -3.939 32.515 -16.115 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 0.157 4.247 5.730 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 8.987 -8.786 5.410 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -0.488 -4.074 -2.012 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 0.162 9.764 -5.185 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 1.934 -0.746 30.045 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 2.054 -3.065 -3.361 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -10.405 -2.494 -0.313 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 6.363 3.038 15.954 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 0.002 3.710 -1.921 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 -5.433 -6.467 11.590 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 3.881 7.309 2.878 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 0.785 -4.369 4.482 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 3.255 1.069 21.033 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 10.948 21.103 -6.133 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 3.871 -7.839 -1.470 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 5.318 -5.510 3.380 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 -2.307 1.652 4.330 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -5.998 -4.143 -6.978 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -5.993 -5.649 -2.811 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 0.078 -2.718 -0.983 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 18.454 -11.401 -0.379 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 -2.400 -5.448 -0.167 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 11.310 -18.058 -1.813 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 1.051 -0.785 1.040 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 0.488 0.929 0.800 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 -7.803 -3.552 2.554 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 -2.747 1.499 -5.292 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -8.080 7.011 -3.608 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 2.418 -2.139 -2.327 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 24.155 5.846 6.269 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 2.984 4.986 -7.842 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -0.861 0.236 -5.656 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 8.560 27.611 -34.721 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 2.722 -2.409 5.612 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 -6.257 2.570 -7.265 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -15.925 -3.075 0.134 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 -3.816 5.554 -1.044 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 5.665 -8.691 -4.560 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 2.524 2.399 -15.727 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 0.106 -6.864 -8.768 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 1.650 6.021 -2.223 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 0.938 1.726 9.970 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -2.803 -0.852 2.382 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 -18.033 -18.964 25.952 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 4.424 8.274 -17.351 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 4.442 2.576 2.439 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 6.829 -6.332 -4.600 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 5.781 4.557 -10.995 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 -1.542 6.838 5.210 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 4.392 1.702 -3.801 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 9.136 3.432 1.918 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 24.206 17.564 -22.001 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -0.700 4.268 2.298 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -16.067 -6.598 3.341 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 7.236 2.878 -3.652 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 12.148 -2.486 12.294 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 -1.740 -0.502 2.163 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -2.557 -1.345 -1.340 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 0.521 0.997 -1.159 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 3.023 4.965 -3.655 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 -3.432 -7.195 -1.442 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 3.089 1.093 0.970 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -14.599 -5.973 4.017 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 -3.360 6.308 -0.986 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 4.123 2.469 5.447 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 6.438 13.074 -2.377 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 4.410 2.435 -1.578 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -1.449 -3.812 -8.287 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 18.170 -7.873 -3.842 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 5.299 -1.379 -5.774 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 4.150 -4.209 -1.072 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -24.199 -21.710 -17.100 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -3.359 5.411 8.278 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 -1.676 13.435 -2.260 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 8.163 -7.843 -2.711 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 -2.154 -0.672 -0.213 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 3.683 -0.249 7.100 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 -15.484 8.991 -4.943 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -0.881 -10.193 4.237 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 3.603 -6.813 -0.755 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 -4.212 2.387 -9.430 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -1.292 7.964 -1.157 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 -6.287 -0.910 2.633 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 8.029 2.308 -1.540 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -16.798 17.167 9.547 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 2.205 -9.341 2.220 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 10.076 1.693 4.293 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 -1.149 2.303 0.205 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 -3.800 3.234 3.156 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 6.680 3.733 -2.095 1.00 0.00 SBOX O ATOM 1792 P URA A 63 0.638 2.072 -3.163 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 -1.368 -0.073 1.135 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -0.699 -4.468 0.984 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -3.168 8.370 -2.846 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 1.865 1.202 1.639 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 2.213 15.712 9.750 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 11.481 -8.030 8.850 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -5.268 5.933 0.377 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -9.549 -6.951 10.905 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 7.600 -6.599 1.840 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 -1.275 9.369 0.969 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -2.876 15.850 1.266 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 -8.652 2.886 4.798 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 0.347 2.338 4.444 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 5.416 -3.085 -0.407 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 2.055 -3.884 3.363 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 -12.982 -7.940 -1.305 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 -1.882 -1.137 5.600 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 2.184 3.326 0.371 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 0.070 -6.005 -2.295 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -5.987 -11.064 -16.949 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 -1.249 4.132 -2.003 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 0.218 2.657 4.386 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 -2.813 2.538 -8.373 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 28.696 -26.598 6.150 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 8.507 1.112 9.387 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 5.663 -9.155 6.186 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 -5.322 -5.312 -0.499 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 -11.961 -7.667 -3.466 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 -2.224 4.239 -0.327 1.00 0.00 SBOX O ATOM 1822 P URA A 64 1.923 2.198 -2.120 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 2.826 -1.812 1.788 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 2.021 -6.362 -5.692 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 5.405 0.742 -2.748 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 1.390 4.634 -1.538 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 2.041 1.760 6.071 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -19.457 27.884 2.040 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 -1.683 -2.443 9.132 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 7.883 -16.301 1.804 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -7.083 4.794 2.207 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -2.290 -1.806 -5.270 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -12.771 12.537 2.648 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 1.477 -5.293 5.843 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 1.179 4.092 2.329 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 -0.370 -12.482 -17.481 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 0.710 0.619 -2.696 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -3.812 6.905 -9.055 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 0.226 0.957 2.778 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 2.578 4.390 -5.624 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -3.349 12.231 3.873 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -16.174 10.573 35.606 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 7.645 3.964 6.924 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 0.465 2.468 1.924 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -4.395 -5.894 -2.270 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 14.018 -23.565 5.275 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 5.344 -3.230 -8.194 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 -22.928 -3.884 -9.512 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 7.078 -6.764 -4.988 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 16.905 -3.357 -4.364 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 8.711 4.874 0.081 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 -0.457 -1.608 0.295 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -0.632 2.476 -8.830 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 -4.626 3.572 1.055 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 4.301 -1.178 0.132 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 -4.239 -2.833 3.138 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -12.784 -7.948 -2.021 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -0.315 2.117 9.255 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 -8.494 -7.288 3.112 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 -16.037 25.375 2.841 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 3.988 -3.439 -2.579 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 1.140 -6.594 -5.733 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -24.307 41.336 -3.965 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -4.680 -0.861 -0.574 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 2.153 0.501 -0.374 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 -7.337 0.243 -8.619 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -2.575 -9.244 -1.238 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 10.155 9.003 -23.898 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 3.703 0.935 -3.870 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 -4.750 2.238 -9.792 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -35.396 -8.363 -20.489 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 8.779 -11.247 -11.806 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 0.495 -0.993 0.229 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -1.697 -5.107 -1.745 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 -1.569 2.861 5.728 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -5.847 -7.625 -6.463 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 -0.727 -18.813 -13.523 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 2.581 -3.257 8.167 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -4.559 -6.883 24.446 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -4.736 7.297 0.755 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 3.125 24.082 -5.758 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 2.555 -0.862 -0.271 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 1.740 0.421 -3.087 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -0.508 2.279 4.402 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 1.176 0.691 4.352 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -4.094 -4.323 3.745 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 -0.630 3.155 10.563 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -0.216 2.736 9.327 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 -5.906 -7.484 -2.279 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 -5.940 1.468 -1.203 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 20.157 -15.725 -18.348 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 -5.060 -3.796 -1.519 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 1.890 9.150 -1.884 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -14.312 -7.690 -0.255 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 0.512 11.143 4.143 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 4.869 -2.725 -1.099 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 18.113 26.061 3.262 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 5.395 2.680 -7.819 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -25.759 2.872 -4.185 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 5.615 -11.349 1.499 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 0.472 -2.105 2.060 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -2.329 0.817 -13.712 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -18.418 7.792 -11.437 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 1.439 2.730 5.095 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 -6.570 4.294 -5.214 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -0.510 -4.074 -2.744 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 -0.713 0.557 1.941 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 3.407 16.500 -9.078 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -4.629 -8.016 -5.410 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 -13.418 14.203 12.046 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 6.894 -3.395 0.279 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 4.394 2.516 6.854 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -3.274 7.893 -2.273 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -0.066 2.638 1.270 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -6.201 0.640 2.996 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 -8.684 -5.483 -0.650 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -3.442 1.402 0.876 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 -4.339 2.813 13.038 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 5.216 -17.906 8.454 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 6.787 -15.284 -7.873 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 0.302 2.424 0.230 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 6.183 2.075 2.193 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -1.138 -5.917 -0.131 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -5.475 4.820 3.391 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 13.201 -12.560 18.750 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 -1.179 4.041 2.142 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 1.337 -1.276 3.040 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 2.054 -2.901 4.361 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 5.381 -1.658 -2.820 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 16.813 1.069 10.035 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 2.863 4.345 2.630 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 8.469 1.722 3.926 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -2.265 1.139 -4.494 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 -3.667 14.156 15.630 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 3.840 1.311 -3.832 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 4.990 -1.872 -3.125 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 -3.052 -2.600 -2.682 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 9.458 3.536 2.283 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -0.525 2.857 2.520 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 -11.219 11.935 1.376 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 6.202 1.223 6.598 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 11.656 -13.895 -15.895 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 0.007 1.452 -0.624 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 0.519 2.959 -3.590 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 -2.842 -4.567 -4.693 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 3.024 -2.387 -2.521 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 2.208 -6.393 -0.494 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 -5.947 0.759 0.431 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -9.206 -17.936 7.939 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 -1.533 7.381 11.993 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -1.325 2.561 -0.172 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 -7.675 -6.486 3.720 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 0.423 5.505 7.391 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 2.119 0.985 0.874 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 0.611 -13.547 -6.229 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -4.297 1.534 -4.491 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 1.133 6.023 0.795 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 0.644 6.720 8.384 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 7.059 2.687 1.367 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 -1.425 4.881 12.646 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 2.358 -0.726 -3.511 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -0.288 4.317 6.431 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -5.132 0.337 3.641 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 3.924 -2.253 1.731 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -6.171 -6.714 -0.456 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 -3.186 -4.434 1.098 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 0.413 -5.831 3.160 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 -2.143 -2.793 -7.454 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 7.673 0.524 -1.995 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 2.730 7.812 1.189 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -1.607 3.568 -4.300 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -9.706 -12.088 -3.142 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 5.293 -3.553 4.649 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -20.993 -7.620 9.688 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 0.295 -2.287 -2.945 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -7.204 -6.738 -21.490 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -1.889 -0.045 -7.013 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -0.784 -2.793 3.894 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -4.444 0.482 -9.518 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -1.057 -2.798 3.350 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 7.284 -0.807 3.851 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 -1.021 1.237 2.793 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -1.837 1.747 1.537 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 0.643 0.546 -15.083 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 -5.133 -8.115 1.581 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 -0.820 7.333 1.924 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 0.100 0.854 2.819 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -1.800 -0.706 -3.816 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 21.622 -5.474 4.606 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 -0.687 -2.623 -0.700 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -3.185 -1.680 0.721 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 -18.020 -2.310 -26.394 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -8.769 4.166 -0.369 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 7.606 21.446 0.873 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -5.610 4.650 5.845 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 7.627 4.436 1.651 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 9.929 -6.938 7.602 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 22.623 26.022 14.569 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 0.613 1.065 -1.379 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -3.501 -1.782 5.073 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 -2.781 0.528 -4.293 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 7.298 -5.642 -0.595 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 -5.677 32.121 11.370 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 -4.949 4.533 -0.504 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 18.454 -34.969 -6.523 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 0.978 -2.179 5.206 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 3.723 7.617 6.033 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 1.945 2.206 4.185 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 4.694 0.071 -0.061 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -1.572 -7.051 -2.995 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 0.412 2.810 -11.024 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -5.314 -0.669 -0.314 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -9.534 8.889 5.314 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 -2.642 6.541 -0.472 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 9.083 23.414 54.457 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 -1.400 0.761 4.919 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 12.314 0.861 5.964 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 4.702 -2.546 1.833 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 0.253 3.424 2.768 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 1.817 7.557 1.147 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 3.293 2.170 -6.238 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -3.588 6.588 -7.189 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -10.494 -12.872 -0.006 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 -1.852 6.000 -7.744 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -5.609 -0.674 5.190 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 1.578 -6.048 -2.683 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 -0.403 5.026 8.059 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -10.201 -7.351 3.228 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -9.232 -10.334 -13.037 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -1.134 3.892 3.556 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -9.878 1.184 -10.028 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 17.138 10.660 31.173 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 -3.851 3.647 7.012 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 1.996 1.531 7.962 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 2.339 5.977 -2.676 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 15.493 -20.761 -6.238 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 3.788 10.298 -0.099 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 9.897 -8.739 -2.405 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 -7.796 3.297 -3.408 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -6.253 -1.653 -28.572 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 2.806 1.652 -1.138 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -1.432 -0.259 -1.740 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 -4.206 2.346 3.566 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 6.889 -5.872 1.415 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 1.183 -3.064 -2.346 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 -7.327 0.833 0.731 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -13.412 18.037 1.920 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 8.265 -0.263 14.899 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 1.007 -3.943 -3.879 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 12.364 20.304 3.567 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 -1.952 2.323 3.423 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 -4.947 0.808 -0.384 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 14.418 3.922 17.955 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -0.302 2.205 0.062 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -6.357 -3.286 8.256 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 -3.342 -8.306 -13.324 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 -3.934 1.207 2.660 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -4.559 4.884 5.154 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 2.459 -3.688 1.452 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 2.328 6.126 -1.935 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 0.938 6.105 0.381 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 13.767 9.137 -6.638 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 8.607 1.720 -5.858 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 17.780 -6.148 -0.962 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 2.659 -3.172 9.097 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 35.002 4.545 19.719 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 -4.084 0.106 6.692 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -5.815 -3.993 3.512 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 0.289 0.842 1.897 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 -1.342 1.408 1.271 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 -0.413 -1.149 -0.933 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 4.882 6.094 -6.164 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 2.906 7.433 0.836 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -12.650 -13.014 7.292 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 6.052 -8.247 -2.729 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 1.764 -3.591 -3.618 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 2.279 5.465 -8.785 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 4.732 0.834 2.419 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 4.315 1.120 4.778 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 0.069 0.774 -2.331 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -10.314 -4.252 2.478 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 -0.908 0.191 -2.961 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -5.040 4.376 0.187 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 9.910 -12.259 21.395 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -9.252 0.265 -6.574 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 -0.226 -0.620 0.345 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 -5.036 -2.849 -5.691 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -0.312 2.644 -0.987 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 3.734 -4.036 7.402 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 2.206 -13.819 -1.441 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 11.735 -1.214 3.207 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 5.436 -18.782 5.304 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 -2.523 3.868 2.393 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 1.920 0.938 -0.518 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 15.937 12.025 3.489 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 8.540 26.434 -20.531 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 2.704 -2.025 -0.898 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 0.722 5.221 -2.559 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 1.119 -1.713 3.984 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 -3.963 -7.318 -2.396 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -21.549 -32.753 -26.620 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 3.956 -2.011 3.083 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 20.489 12.642 3.842 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 3.079 2.982 -2.733 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 1.875 -19.203 -42.198 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 1.196 1.050 0.217 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 -1.605 -3.732 2.987 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -4.419 1.561 -5.541 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 2.627 -3.295 2.132 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 1.654 -2.626 -3.309 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -1.731 -2.500 4.041 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -0.130 29.323 -10.674 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 -3.382 0.318 -7.636 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 0.587 -1.643 -3.494 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 1.852 6.600 -8.017 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 -1.325 -5.916 10.895 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 8.830 4.416 -3.011 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 -18.939 -12.652 1.470 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 1.242 0.715 2.315 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 2.596 -7.231 10.946 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 12.452 -17.336 6.673 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 1.332 0.964 7.666 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 5.623 3.345 -6.135 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -11.341 4.674 4.435 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 4.053 -4.177 8.310 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 7.147 -9.271 3.139 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -34.017 9.566 -6.480 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 -0.339 7.484 3.013 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 0.098 5.873 -5.146 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 -3.626 15.536 2.327 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 3.295 -5.428 11.427 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 -1.596 4.152 -5.789 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 -3.712 -0.694 -5.224 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 5.667 -3.745 1.247 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 15.085 17.722 1.852 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -4.924 -3.929 -2.701 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 1.709 0.455 2.121 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 3.083 -4.400 -0.338 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 -3.538 13.449 5.968 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 2.393 5.396 3.601 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 -1.590 0.891 -0.949 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 -3.021 -5.627 -0.820 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -2.836 2.174 -6.869 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 2.409 11.082 -1.586 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -6.789 -0.994 -1.541 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -12.958 -6.123 39.551 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -10.936 -0.751 1.858 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -3.429 -2.948 -0.330 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 4.359 -38.884 -6.488 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -1.142 -7.665 -6.983 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -2.422 -1.791 6.691 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 7.155 1.896 7.484 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 -2.514 3.046 -3.305 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 -7.336 12.648 2.901 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 38.570 -40.882 -0.930 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -1.483 -3.077 5.908 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 1.960 4.278 12.192 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -0.050 10.567 7.922 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 2.459 5.586 5.994 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 -4.334 6.626 4.190 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -2.925 -20.172 -43.514 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -0.712 -0.973 -7.904 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 1.967 3.176 -1.771 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 10.197 -7.805 -3.325 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 2.698 -0.858 -3.039 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 3.624 1.020 3.029 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 -5.954 -2.554 -1.377 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 -1.936 -0.950 -4.917 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 -29.588 0.133 32.246 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -7.457 -6.818 3.243 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -4.906 -7.944 12.656 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -0.768 -1.184 -1.428 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 4.085 -36.676 -0.745 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 -0.280 -1.610 -1.766 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 -4.678 -1.101 -0.914 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -0.452 4.392 -1.822 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 3.161 -1.568 5.531 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 1.075 2.928 1.254 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 1.790 -0.684 2.848 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 12.256 -4.155 -5.314 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 7.241 -28.444 4.702 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -4.475 3.836 -6.699 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 -8.202 0.783 7.323 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 -1.489 4.686 -3.331 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 2.308 -5.914 1.723 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 0.516 -0.034 -3.384 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 5.535 6.440 9.572 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 2.736 -8.074 0.552 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 28.951 27.161 10.363 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 4.333 9.961 3.332 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 0.638 3.029 2.561 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -1.449 4.547 0.111 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 5.321 3.036 2.429 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 -26.724 7.362 10.193 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 21.585 1.112 22.513 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -7.097 -6.645 0.619 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 4.550 -1.621 8.226 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -6.002 5.097 2.446 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -2.577 -0.989 -5.207 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -2.095 -4.322 2.101 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 -3.221 6.115 -4.664 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 2.606 0.700 28.805 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 -3.487 2.392 -7.841 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 24.411 7.098 -11.148 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -6.713 0.965 -3.106 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 4.688 -2.799 -14.057 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 6.723 5.431 -3.022 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -0.608 -2.134 1.799 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 5.910 8.852 3.207 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 0.991 -0.938 4.579 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 5.416 -6.216 6.821 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 0.380 3.947 3.714 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 2.315 4.259 3.326 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -13.801 19.970 7.903 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 2.496 4.934 7.517 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -8.443 -2.831 -10.211 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -12.308 7.149 3.383 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 -1.975 -0.875 -1.919 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -32.203 -25.722 4.857 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 0.441 2.184 -4.504 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -0.093 1.254 -1.706 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 3.936 20.018 9.136 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 -2.493 0.556 -5.396 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 -10.865 1.143 -10.804 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -3.312 -6.262 -7.877 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 6.640 2.917 1.485 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -15.548 -33.361 14.540 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 2.316 5.182 2.601 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 -0.625 10.344 -0.586 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -1.777 7.732 -4.827 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 3.454 11.732 -3.535 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 1.590 -4.197 -7.651 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 3.861 -1.869 -5.902 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 -4.679 -0.698 -4.570 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -27.955 15.024 -17.321 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -6.037 8.188 1.635 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 3.181 15.337 9.750 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 -4.858 1.167 3.290 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -7.951 14.405 -24.007 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 3.472 2.315 -0.424 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 0.575 0.746 -5.184 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 4.053 -5.094 -6.029 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 5.849 0.364 0.411 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -5.786 -3.264 -2.343 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 4.338 -4.811 2.803 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 4.544 -16.081 14.003 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 4.315 -18.976 47.744 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 0.773 -5.501 0.713 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 6.665 -2.929 4.378 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 5.437 -2.782 -0.032 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 -0.744 1.255 3.181 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 3.721 -16.478 3.274 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 3.653 3.513 9.103 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 4.832 -3.590 0.272 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -1.132 -9.935 22.260 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 -4.700 -1.906 -3.605 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -1.286 2.959 -6.663 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -0.726 -0.145 -0.100 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -2.140 -1.185 5.236 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -5.061 5.556 13.331 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 -16.965 -15.909 10.367 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 -2.751 -1.010 -4.675 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 0.350 2.864 -2.727 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 0.162 10.589 1.911 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 1.227 -5.562 4.632 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 5.811 1.610 -9.555 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 6.664 -4.052 -0.466 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 12.204 -3.512 0.871 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -0.055 -8.533 2.179 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 5.246 6.657 -3.493 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 3.781 -0.947 0.192 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -6.533 0.822 12.309 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -4.703 -0.876 -1.857 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 1.449 4.683 1.597 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 3.997 0.630 -4.206 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 3.912 -0.350 5.077 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 1.098 5.927 -3.776 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 -3.954 -5.944 -5.321 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -4.801 -7.575 -5.216 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 30.703 -8.422 13.283 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 -2.314 0.465 1.240 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -9.692 -9.780 10.318 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -1.701 3.560 6.465 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 1.853 -3.287 6.086 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -1.581 0.059 6.972 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 2.649 3.514 2.059 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 -3.407 1.955 5.560 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 -2.581 -15.974 -6.821 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 -3.239 1.133 -5.399 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -3.477 -2.412 -17.835 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -1.251 12.177 1.792 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 -4.426 7.129 2.344 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 3.609 24.613 18.449 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -7.103 -5.055 -18.915 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -6.849 -0.565 0.612 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -10.059 12.082 8.040 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 0.004 6.696 -0.608 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 -2.879 2.088 1.940 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 0.940 16.174 -17.407 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 -1.308 -2.009 -1.839 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 5.690 10.465 -5.352 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 2.254 3.449 2.524 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 -4.293 -2.147 -0.656 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 1.605 4.435 0.666 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 2.153 -0.106 1.063 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 -0.234 8.651 3.097 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 1.659 7.158 -5.753 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 0.274 -4.385 -0.329 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 6.229 3.170 -0.810 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 0.098 6.035 -2.224 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -15.240 -10.198 1.862 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -2.623 -6.917 -6.822 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -1.272 -50.413 5.381 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -7.910 -1.510 -4.083 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -9.971 -2.708 2.942 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 7.786 -13.162 1.001 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 2.951 9.028 6.776 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 11.131 8.400 9.614 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -26.114 8.610 7.400 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 -2.504 1.892 0.104 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 3.259 -1.162 -4.268 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 2.178 -0.903 5.853 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 3.636 -2.745 -2.992 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 -0.144 -4.610 2.925 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 0.020 16.548 8.991 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 -10.686 2.238 5.861 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 2.158 1.005 -1.107 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -17.259 -8.421 8.759 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 0.182 -8.114 -1.035 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -4.186 -0.044 0.869 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -2.586 3.596 4.603 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 -1.873 -3.136 2.417 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 -4.922 6.978 -4.904 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 0.359 0.141 6.387 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -8.929 15.146 8.677 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 1.253 0.100 -1.482 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 17.223 -20.971 -8.541 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 3.318 9.169 -0.336 1.00 0.00 SBOX O ATOM 2339 P URA A 80 -3.773 0.682 0.735 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 -0.712 2.851 -2.355 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 7.703 -10.123 -1.502 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 -1.269 -2.517 -2.336 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 -2.335 2.832 5.542 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -11.041 8.980 10.317 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 -3.212 -1.234 12.466 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 -3.711 -3.632 -4.938 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -9.901 24.392 7.814 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -0.263 2.680 2.534 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -8.106 -12.273 -1.088 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -11.456 -3.335 17.161 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 0.420 7.672 -2.316 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 0.987 8.230 -0.538 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 19.026 27.205 -7.591 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 -10.077 -2.148 -0.459 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -26.730 9.579 9.696 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 -2.674 -0.989 -1.424 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 5.695 -0.128 2.153 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -3.795 -7.430 -2.495 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 6.907 8.048 7.131 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 9.738 -1.453 -1.569 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 2.867 -0.405 -3.428 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -1.705 3.562 -4.085 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 14.782 6.353 19.166 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 7.207 4.593 3.750 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 5.262 1.409 12.447 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -7.250 3.404 2.948 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 4.225 37.045 -7.095 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -4.312 3.873 2.389 1.00 0.00 SBOX O ATOM 2369 P URA A 81 -4.999 -2.176 -2.204 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 -0.051 -1.778 0.891 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -7.455 2.845 2.663 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 1.938 3.797 -1.428 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 1.507 -0.189 0.628 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -3.724 -6.752 15.416 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 -26.242 -20.892 1.776 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 6.927 -4.368 2.986 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -24.209 20.778 3.008 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 3.752 -6.354 -3.655 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 7.936 -6.887 -4.762 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 -0.516 -7.944 2.819 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -6.019 -5.662 -0.467 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 3.701 -2.158 7.080 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 14.843 13.419 5.557 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 -1.200 -3.549 -2.500 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 -23.012 -11.078 -7.432 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -6.624 1.563 -3.641 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 0.967 0.733 -0.475 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 1.167 -2.867 5.670 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -2.021 -7.238 10.015 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 -1.419 7.331 -0.331 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 7.540 2.381 -4.163 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 9.313 1.561 2.975 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 13.769 -1.407 -2.263 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 -0.820 -3.051 -0.762 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 3.616 -16.227 7.585 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 -1.453 -1.847 -7.891 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 2.728 -21.043 -10.529 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -6.319 -8.568 -3.733 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 2.139 -2.059 -3.561 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 3.564 3.374 -6.703 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -0.765 -1.334 -3.683 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -2.934 0.429 7.592 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -0.123 -5.683 0.944 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -16.052 1.213 8.024 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -25.872 -35.637 5.101 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 5.249 -0.460 7.134 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -34.748 -20.474 -12.081 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 -6.570 -3.838 -2.669 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 -1.801 1.725 -7.529 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 5.050 3.728 -6.522 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 -3.171 0.960 0.151 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 -0.384 -5.768 0.389 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 0.669 -2.867 0.195 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -0.775 -5.292 2.207 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 10.609 -1.101 -4.148 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 -5.633 4.109 1.565 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 0.248 -3.659 -2.941 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 9.647 3.961 6.043 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 9.494 18.629 3.786 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 -4.993 0.658 -3.632 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 1.990 5.957 -0.180 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -16.176 9.923 -23.031 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 -35.260 9.896 -4.269 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 3.964 -2.904 -0.005 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 2.350 2.415 4.105 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -4.488 -1.433 -1.160 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -6.066 -0.232 0.831 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 13.155 8.260 2.703 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 26.387 1.375 17.093 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 -5.770 1.722 4.725 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 10.608 7.198 -8.942 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -2.556 6.869 -6.968 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 -3.838 -3.225 0.514 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 -1.653 4.930 0.414 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -4.378 -0.118 1.165 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 -7.066 1.723 4.825 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 1.209 3.281 -4.082 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -16.790 8.179 -6.400 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 18.939 -0.958 -10.745 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -6.163 -10.497 -7.469 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 27.068 -15.675 -19.482 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 8.439 2.966 6.213 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 5.210 -0.591 1.641 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -0.961 -1.394 -2.895 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 2.726 -2.295 -3.186 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -0.375 -0.120 -0.026 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -5.952 28.084 -14.139 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 3.424 -1.077 -2.713 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 2.029 4.159 -8.555 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 1.344 4.666 -0.509 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 5.079 -5.470 -1.414 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 17.820 8.495 -0.517 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 11.840 11.222 4.759 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -5.735 -11.115 3.205 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 -5.298 0.244 -0.961 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -3.210 8.091 -22.382 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 5.342 3.063 -1.403 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 -7.759 -0.845 -7.485 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 1.494 -0.212 -8.798 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 3.497 -14.169 -35.188 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -2.451 -15.207 1.472 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 -39.400 -2.365 -26.230 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -6.293 -4.290 3.333 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 -11.319 -11.500 -3.989 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 -1.942 2.386 -1.504 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 -5.942 -0.202 -5.358 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -6.423 1.815 4.557 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -1.505 0.514 -2.337 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 0.431 -1.337 4.993 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -7.426 0.608 -1.404 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 0.265 -4.566 -9.631 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -4.649 -2.168 -1.645 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 5.746 -2.668 7.699 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 -7.779 -20.457 -14.683 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 2.184 4.631 3.371 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -5.431 -7.711 5.360 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 19.324 -1.330 10.144 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 1.603 11.407 -8.074 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 3.150 -1.095 7.115 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -10.054 3.709 6.896 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 6.200 3.879 -3.605 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -1.526 0.570 0.020 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 -0.877 2.252 -2.883 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -2.732 -0.424 4.696 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -9.348 -2.098 3.194 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 -4.517 16.448 -0.189 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 -5.417 -2.757 -11.937 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -1.772 11.118 0.821 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 28.039 6.915 20.398 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 -6.791 -0.646 -1.298 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 3.084 -3.302 5.361 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 2.376 1.686 -2.204 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 14.182 20.118 -17.737 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -3.836 -0.938 -11.009 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 13.491 -3.428 -16.967 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 0.174 5.312 11.356 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 -24.794 32.828 12.656 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 -0.449 -4.104 -4.880 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 0.590 1.274 0.821 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 0.808 1.746 -1.995 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -1.864 -0.759 -4.665 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 -4.941 2.357 -2.012 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 -0.199 3.298 1.892 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -15.867 2.145 6.740 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 -0.332 -2.491 3.922 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 5.900 4.551 3.670 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 13.558 9.277 12.321 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 4.166 -4.210 -6.227 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 -0.717 -5.007 4.513 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 -11.520 23.188 0.365 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -0.914 8.666 3.610 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 0.677 6.741 9.745 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -0.276 -22.826 -11.881 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -12.276 -1.358 -1.509 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 -6.377 -0.799 2.164 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -0.140 6.643 6.239 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 2.852 0.673 -7.558 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 -8.122 -15.946 -13.399 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 20.219 -22.943 -18.352 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -7.075 -2.706 2.593 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 2.588 1.292 5.586 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 18.071 -9.593 0.177 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 -1.942 -6.780 -4.403 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 7.533 -4.672 4.527 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 -4.669 -6.634 1.990 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -8.614 19.933 -6.273 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 -0.055 0.475 8.336 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 -10.259 -7.402 19.496 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 2.832 -2.485 -4.365 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 -13.888 9.220 19.879 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 5.719 5.233 -3.588 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -0.235 1.628 1.176 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -0.391 -8.886 1.594 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 10.051 2.864 -1.443 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 1.050 -1.921 -3.955 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 -8.515 4.504 -4.397 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 -19.505 0.116 -14.556 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 15.355 -19.478 8.581 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 -5.422 -2.661 1.632 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 20.676 -7.162 14.779 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 1.940 -0.557 -2.519 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 0.879 -0.396 -2.783 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 1.869 8.330 -3.208 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -5.499 -0.093 5.078 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -6.141 -1.588 1.936 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -11.152 -5.260 17.058 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 -3.421 0.252 -5.005 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 -8.795 3.348 0.492 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 6.739 3.665 -1.238 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -3.760 2.739 0.355 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 5.680 1.757 -2.402 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 -4.337 -11.136 -16.724 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 0.733 1.529 2.166 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 -2.836 -8.824 2.754 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 2.139 22.599 0.860 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 11.148 2.270 15.382 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 1.525 -0.705 -1.579 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 5.331 0.076 -6.699 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -1.162 0.150 -4.561 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 12.880 8.730 2.872 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 -6.950 -6.224 0.608 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 6.222 19.272 -2.602 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 -5.991 -3.974 1.977 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 -2.144 -17.908 2.087 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 1.403 -0.317 -1.348 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 -1.162 2.500 1.637 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 3.801 1.017 -0.079 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 2.785 6.231 -0.199 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -5.189 -1.707 7.244 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 1.185 3.538 -1.389 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -3.207 16.221 -11.925 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 -6.235 7.930 -10.125 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 4.746 1.835 0.024 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 -10.550 -4.336 -1.361 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 1.844 -4.726 -1.260 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 -5.896 -1.340 -0.065 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 3.376 16.704 -11.548 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 0.719 2.549 -2.472 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 2.408 -4.111 -5.826 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 9.985 3.910 10.001 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 3.491 -2.643 2.544 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 -2.633 -10.474 8.053 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 4.374 1.603 3.083 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 1.910 -0.859 3.147 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 29.718 -6.396 33.930 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 16.986 15.234 31.185 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -4.352 -4.009 -11.427 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 0.783 6.451 -1.366 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 19.496 29.626 20.951 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 3.667 -4.114 -0.523 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -4.878 -3.997 8.760 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 -7.173 4.073 -2.522 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 3.308 2.408 -8.401 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 0.214 4.203 4.841 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 -5.145 -14.879 3.905 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 -4.961 1.386 -2.657 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 -7.532 26.290 -14.447 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 5.601 0.326 3.783 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -2.642 0.329 3.394 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 2.706 0.721 2.280 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -5.777 -1.459 0.110 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 0.138 -2.362 0.893 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 5.860 -5.661 -1.403 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 8.000 9.156 -4.824 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -25.039 13.419 19.246 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 2.022 -1.197 6.818 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 1.179 -4.617 1.801 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 2.213 -1.899 3.546 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 -4.827 -3.204 0.848 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 -2.038 -24.860 0.897 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 -6.392 0.783 -4.542 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 11.345 -3.142 4.744 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 -15.519 16.637 -8.143 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 1.857 -6.111 1.868 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 0.315 4.510 -14.066 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 0.038 -2.131 -4.064 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 2.712 -5.764 -0.188 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -0.750 1.084 5.044 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 7.049 -25.679 -6.650 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 2.602 -2.931 2.467 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 0.108 -3.723 1.752 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 2.807 -1.951 7.368 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 0.594 -5.916 5.128 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -3.492 3.889 3.618 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 4.559 21.333 6.081 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 2.666 1.380 3.650 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -25.940 17.540 13.000 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 -4.894 4.350 1.480 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -4.217 0.860 4.143 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -5.512 6.318 -7.222 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -2.178 4.988 2.325 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 0.836 2.710 2.075 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 0.129 0.064 -5.254 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 10.689 -15.875 -13.448 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -3.463 1.165 -5.344 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 -1.048 7.650 1.383 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 -5.168 3.363 4.177 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 4.945 0.831 -5.180 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -1.597 -3.614 2.444 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -9.979 15.288 -18.821 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 3.358 -8.918 -4.699 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 5.478 -0.045 -0.090 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 29.417 8.732 15.946 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 3.036 1.771 2.561 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 -1.542 1.028 6.361 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 4.349 1.773 -0.990 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 2.288 5.672 1.804 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -3.242 -9.753 -7.101 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 -4.090 -15.690 -12.374 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 -0.149 1.101 -1.694 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -0.677 -3.707 -0.013 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 -18.112 -0.923 4.641 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 7.258 8.314 -4.161 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 4.055 -1.512 -6.338 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -1.050 -1.912 3.552 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 -1.260 -2.156 5.081 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 1.835 3.413 23.504 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 0.060 2.060 -0.739 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 13.570 3.634 -6.300 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 0.441 -2.066 3.828 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 12.401 -0.813 -11.757 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -5.075 -8.027 6.026 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 3.311 -4.047 3.515 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 1.875 -1.637 3.136 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -6.144 -0.682 11.418 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 -0.641 8.754 -1.193 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -1.065 3.931 2.453 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -5.601 -12.203 6.458 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 25.005 1.187 2.648 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 0.358 7.270 0.264 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 -7.702 32.448 -18.369 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 5.322 3.606 -1.115 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 -0.298 -0.773 -1.955 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 9.282 -6.310 4.224 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 6.687 -1.537 -0.101 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 1.077 -0.314 -7.994 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 22.725 0.645 -26.672 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 -4.238 -8.455 -0.659 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 4.947 3.900 4.581 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -4.328 0.964 -2.142 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 0.474 0.027 -1.524 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 31.173 17.296 -9.655 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 1.833 11.174 9.975 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -1.618 -6.718 3.396 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 6.425 -3.998 9.112 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 1.525 6.620 21.984 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -7.521 8.908 4.263 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 -0.947 2.790 2.092 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -2.971 -9.641 -3.788 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -5.519 -11.376 -8.099 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 2.950 -3.010 -4.585 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 2.071 -15.077 -10.369 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 -10.589 2.399 -3.656 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 -23.809 -2.986 -6.440 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 7.600 5.075 0.236 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 2.794 -0.565 -0.530 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 3.382 3.161 -4.150 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 6.508 6.779 3.537 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -7.452 -3.079 -3.662 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -2.289 6.318 -3.016 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 -6.577 8.691 11.291 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 14.870 -1.011 6.413 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 4.835 8.212 -5.489 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 2.988 -14.482 -10.771 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 3.642 2.263 1.884 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 1.937 -1.077 -4.086 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 -16.269 -1.944 -25.519 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 3.783 -4.015 0.473 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 -3.998 9.291 -2.094 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 -2.483 11.861 -23.690 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 -5.093 -0.659 0.547 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 2.212 8.632 -6.740 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 5.081 -3.626 0.349 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -8.040 -0.992 6.513 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 2.664 -1.768 0.584 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 7.608 -6.827 14.087 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 5.633 0.887 -5.343 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 0.742 -2.679 1.811 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -8.555 -15.231 9.069 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 8.867 0.155 4.902 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 -1.811 -8.738 3.554 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 -5.610 5.665 4.031 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 4.552 -3.153 5.155 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 13.358 -17.516 2.816 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 -3.802 1.729 6.082 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -4.131 6.007 -0.534 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 -0.379 2.042 -2.522 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 9.165 2.377 18.793 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 -1.935 3.892 4.177 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 4.551 2.036 -3.155 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 1.751 5.639 -6.788 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 6.056 -2.122 3.443 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -1.315 2.433 1.681 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 -0.734 4.995 2.368 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 9.408 20.141 -11.803 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 0.560 -4.053 -1.070 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -2.588 -3.956 -7.267 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -8.608 8.713 -3.064 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -0.026 -1.170 -1.703 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -0.849 -4.777 3.531 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 25.017 -5.330 -54.748 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 1.736 -2.081 0.220 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 2.607 -4.071 0.180 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 20.234 14.814 5.971 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 5.049 0.104 -4.153 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 22.978 9.262 0.433 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 2.967 -1.452 -0.536 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -2.536 2.753 -7.078 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 20.832 20.304 -9.901 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 17.708 5.265 2.262 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 -3.521 0.272 -5.207 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 0.417 -0.099 -5.817 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 4.225 -4.860 0.514 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 -9.088 6.210 8.294 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 6.380 2.537 16.643 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 -2.123 0.207 1.119 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -5.013 -10.957 -3.767 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 -3.701 -3.044 0.626 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 -6.701 13.396 -26.770 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -0.393 -0.021 3.198 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -2.743 2.836 2.343 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -3.376 0.356 -3.810 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -1.564 -4.124 1.836 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 -0.359 0.124 -1.448 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -1.039 2.902 3.826 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -16.759 16.376 -19.724 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 9.312 -23.023 4.048 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 1.843 0.647 3.149 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 -17.564 7.308 20.147 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 6.198 1.380 0.852 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 1.551 -4.594 -1.587 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 1.699 -8.838 10.072 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 1.571 -3.001 4.091 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 -3.853 8.588 0.488 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 -28.200 -11.466 2.946 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 6.000 -2.521 3.072 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 24.004 -5.851 33.816 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 3.944 2.720 -8.430 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 4.252 2.639 -1.082 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -1.180 2.565 -2.498 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 13.428 5.664 -4.348 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 1.195 -4.909 -3.363 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 2.469 -2.837 0.975 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 -0.784 -0.691 7.951 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 0.673 -0.939 2.995 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 3.667 2.204 16.442 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 1.752 0.903 -10.773 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 2.610 -3.094 -12.221 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 3.097 -6.354 2.308 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 15.677 -3.632 5.751 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 2.867 -3.628 2.289 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -0.496 7.776 2.245 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -28.226 26.345 -21.090 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -0.692 2.127 -6.279 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -1.839 -3.894 4.484 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -2.903 -0.021 0.062 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 -6.474 -5.882 -4.339 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 -2.536 -1.227 -7.713 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 6.670 -4.231 3.285 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 10.826 -36.819 -17.318 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -5.406 2.256 1.177 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 -12.016 -2.007 7.150 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 4.373 -0.384 2.492 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 3.815 1.634 1.908 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 14.420 11.843 -7.544 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 0.342 -2.424 -4.153 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 1.753 6.752 -4.585 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 16.772 -9.689 -9.598 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 -8.005 0.433 4.397 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -1.423 -0.814 -3.925 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -4.117 2.258 0.556 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 -1.363 1.276 7.907 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 6.496 -10.099 -0.612 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 -5.078 9.646 3.470 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -4.264 1.981 1.736 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 -0.078 2.787 -2.297 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 20.607 -23.751 3.316 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 -0.120 -4.429 3.454 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 7.327 -4.253 -2.268 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -7.389 -4.154 -2.114 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 3.433 -20.258 54.621 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -5.134 -8.034 6.755 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 0.952 -8.418 8.853 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 6.805 -7.044 -6.103 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 5.279 14.439 -1.741 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -7.819 -1.289 -3.940 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -11.350 10.076 -7.702 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 0.335 -14.448 -21.887 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 2.572 1.377 -14.311 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 -3.039 11.956 -17.037 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 -3.228 -4.161 -9.412 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 6.272 -2.835 -7.021 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 -11.884 0.697 -20.554 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -12.433 -1.827 -22.079 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 1.004 2.605 2.269 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 -0.683 4.870 1.033 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 -7.065 6.131 7.085 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -3.220 1.013 -4.906 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 -6.642 -1.814 -1.729 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -9.683 -10.924 -6.899 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 -3.777 -1.422 -5.172 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 -11.010 -24.134 17.728 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -1.272 26.456 40.687 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 -6.321 9.454 -0.715 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 -3.341 6.988 2.131 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -0.777 5.304 4.204 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 1.762 3.449 -0.129 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 -11.752 -8.042 -3.061 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 4.460 -0.151 2.172 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 4.411 -0.117 -4.729 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 16.674 1.251 -1.386 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 5.675 -10.314 -15.589 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 -0.367 2.798 -3.845 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 -7.425 -5.051 4.377 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 2.660 -1.367 -15.412 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 -1.545 10.888 -0.496 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 6.420 3.141 6.717 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 -18.778 7.710 2.539 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -4.135 -0.349 0.771 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 -14.610 -9.032 -18.729 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 -23.450 10.627 13.836 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 -2.957 2.461 3.547 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -1.284 -18.605 2.239 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 -8.505 -16.276 3.429 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 6.934 -2.248 -2.512 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -15.802 -1.551 -22.355 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -22.232 6.821 -6.245 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -3.913 9.800 -3.692 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -6.844 23.319 6.881 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 5.010 22.515 16.450 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -4.520 -8.940 0.126 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -7.660 -16.579 10.905 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 -0.314 -2.764 -7.774 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 0.025 5.576 -5.618 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 1.138 -17.469 5.164 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 -1.664 -14.788 3.691 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -3.197 0.124 -0.056 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 3.548 2.093 -31.795 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 12.113 8.896 15.208 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 -4.043 -1.220 -1.664 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -4.381 -7.472 13.239 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 17.007 6.093 3.205 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 1.242 4.838 -2.135 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 -0.942 5.997 2.691 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 11.308 -7.963 -5.972 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -5.853 5.346 -0.343 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -16.889 26.643 -10.541 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 -4.830 7.350 6.584 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 -1.700 -1.113 0.404 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 5.992 10.117 -16.336 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -9.220 -11.106 8.791 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -2.051 -2.672 7.833 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 14.329 13.599 -1.097 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 12.519 -20.188 15.199 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 1.928 7.540 1.073 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 4.155 -6.214 13.330 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 3.495 4.064 4.360 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 -2.697 1.190 1.222 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 -2.204 -15.139 27.694 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 -2.221 -0.952 4.529 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -3.713 -2.830 -1.258 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -31.050 0.572 2.858 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 13.320 22.160 -6.799 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 4.167 -3.001 -2.592 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -28.673 -20.340 2.223 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 23.052 6.976 3.056 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -4.138 -3.376 3.044 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -2.208 8.538 11.956 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 -12.797 5.944 1.986 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 2.854 2.000 1.343 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 4.992 -11.073 10.164 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 9.934 -4.370 -1.353 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -5.328 -1.316 -5.711 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -6.185 -8.740 -25.906 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 17.300 -0.105 -9.173 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 1.112 -0.218 -3.473 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 -11.422 -1.036 -1.031 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 3.565 8.259 1.041 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 -3.360 -5.981 -0.117 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 -12.673 2.498 -0.535 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -18.372 -10.058 10.515 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 0.159 1.795 3.778 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 2.737 -5.564 2.532 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 -4.790 -0.169 3.013 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -2.072 -2.400 6.308 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 13.070 0.632 23.370 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 7.929 8.335 27.396 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 -3.020 1.211 5.431 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 15.170 0.138 -11.962 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 13.170 -0.974 -3.618 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 6.330 -6.202 -7.144 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -7.124 -25.027 1.699 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 1.168 -1.259 -6.219 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 -1.157 0.458 -1.935 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 6.395 7.248 7.367 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 7.286 1.318 -5.921 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 -1.068 1.387 1.164 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 8.497 -19.271 -34.244 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 6.642 -11.852 -5.840 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 0.341 -1.504 3.277 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 0.317 -0.270 -0.876 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 -0.322 -4.266 4.970 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 -6.662 3.747 4.073 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -5.107 7.590 3.285 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 -6.362 2.928 7.979 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 2.518 4.689 0.006 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 -6.337 13.307 -7.816 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -10.453 -0.928 1.004 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 5.329 -3.139 1.056 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 15.188 -18.440 -12.602 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -22.627 -2.777 6.634 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 3.026 3.515 4.323 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -1.686 5.218 5.610 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 4.885 -0.622 9.434 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -2.427 6.059 3.057 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 -2.021 8.319 5.942 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -6.140 5.768 -0.144 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 2.405 8.908 -5.310 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 10.020 -4.481 5.469 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 1.184 0.192 -21.987 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 7.693 -2.568 1.953 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 13.528 -3.317 -5.426 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 -2.215 -4.675 0.881 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 7.747 -9.583 -4.610 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -0.304 -8.795 14.093 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 20.924 14.969 -2.000 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 -3.602 2.519 -0.945 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 -8.857 3.575 -1.299 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -12.763 -8.556 -8.916 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -1.881 -6.052 -1.052 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 2.410 -37.093 -3.945 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 26.599 9.944 -1.229 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 8.631 4.318 3.561 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 27.129 -1.135 32.677 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 11.191 17.107 19.072 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 2.815 0.600 5.345 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 1.080 0.414 11.527 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 0.724 -10.488 7.102 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 9.299 2.581 -0.661 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 8.209 2.134 6.177 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 12.258 -10.767 -0.519 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 2.706 3.364 1.187 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 -7.128 22.366 2.547 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -7.387 4.308 -1.594 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 2.206 -4.643 0.776 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 9.872 9.454 -2.178 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -1.855 -1.568 16.581 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 4.036 4.539 -0.674 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -5.127 4.676 -0.602 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -1.988 8.636 -3.249 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -0.144 1.417 -0.109 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 7.083 15.956 8.342 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 13.785 13.462 10.161 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 5.224 -7.041 0.605 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -5.521 -1.231 3.356 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -11.487 17.808 19.267 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -2.614 0.276 -0.657 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 11.454 -16.663 -16.017 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 4.884 4.765 26.806 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 5.451 4.700 -5.137 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 9.165 -8.638 0.888 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 -5.683 0.803 -12.674 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -1.316 2.315 -5.334 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 5.713 -1.856 -5.295 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -6.287 -1.624 -8.662 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -8.157 4.660 0.311 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 -0.332 12.478 6.191 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -2.583 9.976 3.213 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 -3.581 -1.763 3.112 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 29.922 -17.054 -9.015 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 -18.167 0.159 9.362 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 4.642 1.741 2.380 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 6.997 6.447 16.977 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 4.622 6.634 4.761 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -3.561 7.633 3.576 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 5.491 -1.840 -3.052 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -5.627 1.893 3.432 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -0.156 5.909 -1.120 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 18.813 -12.800 15.889 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -3.474 16.652 -6.133 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 3.584 1.512 -2.790 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 1.279 5.373 3.088 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 5.936 -7.412 -5.762 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -8.530 3.497 -1.588 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -14.896 12.407 -3.511 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 -15.669 -8.871 0.662 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 1.343 -3.645 4.148 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 11.388 22.694 19.997 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -16.402 -1.593 11.500 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 2.207 7.299 -1.621 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 15.530 -8.051 -29.345 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 4.350 -27.898 7.058 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 0.993 0.617 -2.650 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 -13.235 5.582 5.621 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 10.685 12.343 3.525 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 -1.829 -2.942 1.705 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 -13.725 -3.016 -2.066 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 0.591 -2.447 1.355 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 14.332 -6.798 0.735 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 13.228 -9.313 -5.352 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 7.302 -3.584 -3.506 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 -3.485 1.715 1.365 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -18.641 -1.280 25.687 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -23.331 21.830 -4.957 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 0.806 -1.664 -6.200 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 -15.636 11.214 22.330 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -6.227 -5.904 -12.988 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 3.762 -0.401 -5.215 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 -5.383 3.076 -12.930 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 2.978 -3.573 -0.712 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 -8.632 3.573 -2.479 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 0.110 4.189 -4.548 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 -2.587 -3.981 -0.988 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 6.378 -4.158 6.304 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 -2.676 -1.355 2.664 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 -7.551 -2.071 26.451 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 0.727 2.270 -3.070 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 -11.934 1.291 -8.942 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 20.608 -0.544 9.453 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 2.890 -1.518 -4.072 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 5.865 -1.816 15.084 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 4.394 19.608 0.909 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 4.052 0.518 3.794 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -3.432 1.916 14.712 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 18.355 -0.415 13.678 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 7.479 0.881 1.931 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 14.462 7.801 -1.416 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -7.809 -6.220 8.690 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 -2.120 -2.246 -0.366 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 -11.793 -2.432 -4.446 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -15.457 -5.334 -4.452 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 3.869 4.028 -2.480 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 10.770 -9.550 -13.080 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 15.079 0.984 6.812 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -0.228 -2.342 0.600 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -17.253 -23.112 14.792 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 -2.910 -7.122 -17.862 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 2.327 -3.401 -1.148 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 7.270 1.330 36.153 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 -0.588 4.659 14.617 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 2.344 2.485 2.540 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 8.026 4.224 -0.714 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 16.463 -22.204 4.392 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 1.753 0.782 6.011 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 -1.029 -3.858 5.876 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 -4.745 -6.284 -1.012 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -1.635 1.857 -2.410 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 -10.300 4.448 -4.781 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 24.338 -11.940 -0.407 1.00 0.00 SOLV ATOM 3090 MG MG X 205 1.380 7.059 1.271 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -4.188 -0.067 0.716 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 0.942 2.858 -0.521 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 7.090 11.026 -3.672 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 3.252 -2.365 -2.554 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 -8.071 8.946 -1.040 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 18.893 24.133 -34.909 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 0.032 -2.106 2.255 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -1.351 2.469 -0.911 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -3.927 0.303 -6.063 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 0.251 1.712 3.483 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 0.204 -4.250 -4.627 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -6.099 -1.789 0.023 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -9.020 3.037 4.209 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 0.764 -29.623 25.105 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 0.632 4.401 -4.458 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 5.451 3.228 0.205 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -5.558 -2.449 -0.200 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -7.231 0.437 0.854 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -20.538 22.587 -12.121 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 -4.774 9.370 4.959 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 1.353 -4.971 6.519 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 -12.857 -26.565 12.900 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 0.767 -4.712 -8.146 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 -20.638 16.768 32.666 1.00 0.00 SAM ATOM 3115 N SAM X 301 0.083 6.461 2.641 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 1.259 -8.589 6.781 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 2.603 12.724 18.771 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 15.823 10.395 7.214 1.00 0.00 SAM ATOM 3119 CA SAM X 301 1.944 -3.703 1.535 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -0.078 -9.037 -0.757 1.00 0.00 SAM ATOM 3121 CB SAM X 301 5.187 -2.539 -1.901 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 9.988 10.145 1.794 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 -12.555 15.875 -8.406 1.00 0.00 SAM ATOM 3124 CG SAM X 301 2.230 -2.271 -4.743 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 -6.012 -14.559 -10.935 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 -14.201 11.534 -3.139 1.00 0.00 SAM ATOM 3127 SD SAM X 301 -0.525 -4.511 -0.417 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 1.621 -5.612 -4.020 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 -2.282 -5.125 -3.484 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -6.827 -4.958 16.438 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -0.582 -2.230 1.723 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 14.867 -7.795 13.663 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 1.999 5.191 6.172 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 9.442 -2.767 -23.205 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 -1.466 2.538 -6.310 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 -5.690 -2.588 -4.029 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -4.176 -7.406 1.248 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 -6.155 7.932 -5.919 1.00 0.00 SAM ATOM 3139 C SAM X 301 -2.857 2.554 3.276 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 -1.088 -0.204 4.162 1.00 0.00 SAM O ATOM 3141 O SAM X 301 3.382 5.724 -0.108 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 2.940 0.090 2.948 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 10.131 -3.643 2.452 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 1.812 0.168 0.114 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 0.669 -5.346 3.742 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 11.841 -10.997 7.091 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 -2.946 10.654 5.918 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 3.954 4.077 2.863 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 4.465 -1.837 3.898 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 12.004 -6.894 9.472 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 5.069 3.959 1.007 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 -13.394 -5.284 -7.308 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 12.075 2.961 14.082 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -5.285 -4.097 -1.283 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 8.300 15.005 5.784 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 1.878 -22.054 -13.268 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 3.535 -6.867 -6.793 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 -4.684 -4.788 -3.712 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 -1.194 5.602 -2.195 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 2.962 4.032 -0.370 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 2.405 -6.906 -8.198 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 0.064 15.829 -10.453 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 3.635 -2.710 1.479 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 -2.209 0.808 2.761 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -13.933 7.370 7.656 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -1.922 1.574 2.603 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -13.322 -10.567 19.877 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -4.974 9.214 15.550 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 3.999 3.195 -1.734 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 12.613 5.112 -15.911 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 -4.975 -0.938 16.192 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 4.370 -1.633 2.959 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 26.870 -11.053 2.743 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 -6.015 -22.052 -7.840 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 0.511 8.211 -3.774 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -0.907 -5.310 0.236 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 8.127 11.639 -0.268 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 -3.326 -3.117 -3.908 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 6.393 -4.121 -0.229 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 -2.659 -0.780 -13.764 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -3.564 1.526 -9.484 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -22.067 12.591 10.548 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 15.026 -16.395 -3.523 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 3.741 -2.854 6.299 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 0.883 25.995 -13.616 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 6.207 16.230 14.819 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 2.986 -2.109 1.809 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 1.299 -0.187 3.306 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -3.930 13.004 6.078 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -0.260 5.661 4.853 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -11.710 4.361 -5.409 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -12.716 1.025 -10.452 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 5.183 0.487 6.271 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 2.865 -0.692 -12.096 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 -4.304 -3.396 22.792 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 -1.770 1.688 7.559 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 1.512 5.374 3.053 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 1.971 -11.341 -6.238 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 5.075 0.817 5.259 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 1.857 4.045 -2.682 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 0.758 5.943 -28.796 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 5.174 5.713 -3.353 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 13.954 3.233 -15.930 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 3.210 5.940 -3.292 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -2.340 0.423 3.734 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 1.174 -7.588 10.563 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -3.161 -6.678 -6.144 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 -5.733 3.330 1.861 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 11.882 -0.607 -7.751 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 15.223 26.779 6.044 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 3.119 -2.506 -2.422 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 -6.865 -23.586 -6.751 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -29.818 37.704 3.881 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 4.744 0.670 -4.677 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 0.866 7.407 1.736 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 9.330 -5.400 -3.661 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 3.615 5.767 0.896 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 -8.195 -12.392 -21.911 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 3.222 9.305 -2.374 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 1.450 8.191 2.073 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -10.256 1.948 -8.295 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 6.312 21.099 9.539 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 6.505 -2.041 -5.370 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 15.583 1.256 -9.478 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -2.824 -34.932 -0.984 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 -0.832 -1.684 1.639 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -33.454 -34.726 21.420 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 -0.856 8.618 -22.222 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 1.927 3.893 -1.957 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 15.197 -6.294 13.674 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 5.550 2.664 4.003 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -0.797 1.168 -6.211 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -12.041 12.563 6.817 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 1.394 -3.284 10.630 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -1.629 -2.878 1.108 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -11.710 8.313 20.712 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 -5.266 8.311 -0.537 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -2.714 -2.741 -3.726 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 2.087 -3.066 -0.410 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 -2.947 -0.353 -7.240 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 2.821 0.194 4.181 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 17.940 -16.643 28.786 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 0.361 -17.738 -20.771 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 -3.104 -0.418 3.274 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -4.438 -0.844 -7.949 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 -14.838 8.488 -5.004 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 4.332 -3.413 6.450 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 9.566 10.763 25.582 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -1.068 -10.827 9.811 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 2.165 2.154 5.516 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 8.863 -6.089 -18.518 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 -2.372 7.693 23.986 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 1.652 -3.808 3.490 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 22.659 -9.839 10.062 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -0.750 -26.341 15.634 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 -8.620 2.427 3.505 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -5.973 12.629 -0.404 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 -7.444 15.567 1.748 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 0.152 4.028 -5.026 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 0.271 -5.403 -15.721 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -1.528 -5.355 -12.172 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 1.235 -2.752 -5.140 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -9.257 -3.651 17.205 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -2.393 0.352 -1.663 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 -2.790 -2.692 3.006 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 3.407 19.834 13.228 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 0.180 -16.035 7.611 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 4.254 -1.769 0.500 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 2.000 -2.562 -5.641 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -3.044 0.309 8.045 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 10.227 1.283 -5.973 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 14.881 10.931 23.645 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 18.275 4.433 -11.916 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 6.971 2.688 -0.188 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 8.045 -0.740 11.999 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 -8.515 7.761 -2.675 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 -4.695 3.783 -2.261 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 -16.130 3.143 9.910 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 -7.712 -11.180 -9.134 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 3.843 0.390 4.415 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 14.550 15.918 4.298 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -7.178 -22.969 -8.757 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 5.851 -3.189 -3.087 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 -1.522 -26.716 3.259 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 25.050 -8.037 -4.234 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -0.207 1.355 -0.806 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 -0.602 2.215 -11.050 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 7.969 -4.470 -11.139 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 7.960 -0.410 0.965 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 9.888 -0.889 -11.026 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -3.860 -6.270 0.422 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 11.196 0.218 1.933 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 -11.132 13.894 8.751 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 -13.786 -7.085 -22.662 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 -4.948 1.720 -0.801 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 12.534 -10.836 -17.922 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 -8.703 4.319 2.222 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -1.238 3.129 -0.152 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -19.638 -2.694 6.933 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 25.811 3.882 -8.433 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 -3.198 8.551 5.926 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 0.590 24.777 2.013 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -6.487 -12.017 -15.584 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 -2.171 -1.467 -3.071 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 1.919 -9.638 9.085 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 13.578 -4.648 -9.232 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 1.884 -1.491 -8.464 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 2.536 -6.559 -3.997 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 12.095 -1.096 -15.446 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 1.928 -2.639 6.723 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 4.882 -7.271 1.369 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -20.887 5.500 17.267 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 0.600 0.869 1.115 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 0.115 -21.489 2.400 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 10.783 12.867 1.070 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 -1.008 2.025 -1.435 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 16.084 6.202 14.388 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 -11.789 -7.945 -17.526 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 -3.299 -0.104 -3.611 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 4.588 10.514 -1.869 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 -8.250 2.937 -12.576 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 -0.290 -4.943 0.663 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 -10.574 5.344 22.257 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 -9.448 -8.670 6.086 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 4.542 -7.726 -4.543 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 13.231 -12.878 -6.437 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 1.496 -9.978 8.080 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -1.702 6.701 -0.576 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 -20.592 16.237 -8.603 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -12.217 3.318 -9.532 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 2.016 -0.852 4.903 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 4.048 0.709 -0.844 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 -3.778 -4.377 4.992 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 -2.573 3.403 0.895 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -2.791 -6.818 16.812 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -2.750 -5.323 14.746 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 2.259 0.591 0.360 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 12.783 -16.393 -11.021 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -19.211 1.887 2.430 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 0.277 1.718 0.770 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -13.752 -3.935 16.739 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 13.616 -23.932 -6.753 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 4.298 5.067 2.543 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 -25.507 -4.856 7.507 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 -15.529 4.661 6.792 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 3.597 1.943 1.853 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 7.131 -4.285 7.456 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 -16.507 -4.546 6.080 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -2.040 -1.519 -2.545 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -6.358 0.586 0.217 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 7.618 -3.944 -9.181 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 3.751 -6.516 6.002 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 1.951 10.460 5.525 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 1.605 -19.230 12.580 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 -3.195 -0.244 2.078 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 2.949 -1.764 -23.334 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -13.014 7.090 -3.749 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 2.559 1.231 -0.976 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 14.813 -7.799 -2.656 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 0.968 4.967 3.706 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 6.556 -2.742 4.970 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 0.373 -10.203 15.414 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -5.450 -19.155 -10.121 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 4.720 -1.185 -4.479 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 -3.098 1.917 -12.236 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 6.357 -2.105 -1.953 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 1.176 1.061 -6.317 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 2.861 -26.456 1.903 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 3.338 12.204 25.443 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 3.523 5.690 0.608 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 -21.985 4.259 0.963 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 7.905 -2.419 5.620 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 1.466 7.974 -4.847 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 -3.795 8.569 -7.110 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 4.474 10.894 -5.116 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -0.238 0.318 -7.438 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 3.686 -7.177 -9.054 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 10.564 -35.247 -11.812 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 -5.729 5.967 1.475 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 1.474 8.757 -6.536 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 -8.383 6.991 7.128 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -1.375 4.005 3.032 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 1.035 -22.855 20.796 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 0.918 -5.707 15.426 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 6.379 0.292 -0.180 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 0.266 -4.272 10.524 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 11.123 6.019 -17.210 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 1.159 -6.519 -4.171 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -3.557 -12.554 3.155 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 5.922 10.598 -12.995 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 -0.299 -0.398 -6.492 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 3.752 -19.653 12.233 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 0.950 -7.159 -1.126 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 9.460 4.005 5.327 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -8.958 6.321 17.795 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 7.949 -6.573 21.094 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -0.410 2.752 1.117 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -3.406 11.418 -11.085 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -0.413 -0.653 -26.938 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -12.403 -0.464 -0.410 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 27.073 -23.750 -9.778 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 -17.068 4.426 -4.391 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 -9.511 0.641 -0.489 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 -6.284 7.847 -6.215 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -25.881 7.445 12.220 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 -3.117 -3.683 -1.475 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 -9.105 -2.354 4.640 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 0.971 -5.908 5.550 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 -0.639 -0.606 -1.656 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 36.724 -13.545 -5.093 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 10.366 8.465 1.729 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 4.567 4.662 -2.934 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -14.285 -4.833 5.594 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -1.629 1.591 -2.453 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 4.537 -1.283 0.149 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 -11.781 -22.829 4.170 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 9.813 -11.922 27.136 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 1.605 -2.904 -4.210 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 10.573 -4.105 4.697 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -6.859 9.250 16.140 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 -2.523 -1.336 2.172 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -27.907 -8.040 -6.038 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -25.235 -10.293 -13.717 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -5.404 0.538 11.451 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 -31.355 3.899 1.195 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 5.967 -2.062 8.878 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 0.094 -0.655 -1.853 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 -8.812 -5.127 21.094 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 -19.506 -11.758 -9.662 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 -3.999 -0.167 -0.691 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 1.901 -12.783 18.142 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 9.969 -8.617 -14.501 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -2.680 -2.502 0.506 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -3.914 -2.222 -0.174 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -1.629 -9.346 -2.849 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 -4.600 3.967 -2.561 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 -2.220 -14.840 3.433 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -12.330 17.091 15.135 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 -2.370 -3.089 1.873 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 -11.541 9.338 7.084 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 5.501 -13.480 -2.789 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 2.745 -3.353 8.054 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -4.204 -17.869 -2.090 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 -13.489 3.427 12.759 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 -2.867 1.240 -0.459 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 11.338 2.158 -3.788 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 -25.025 3.646 4.534 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 -1.018 1.592 2.728 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 -2.866 -11.983 24.251 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 3.107 0.903 16.505 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 -4.900 -4.671 2.999 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -2.368 -14.907 -9.777 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 2.679 -11.651 15.744 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 -6.602 0.231 -4.020 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 1.014 -10.137 -3.850 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 -4.301 11.505 -14.219 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 7.066 -3.716 -5.986 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 3.594 -11.854 2.765 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 19.307 -3.995 -14.844 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 -6.806 -6.182 2.063 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -11.241 -1.465 -7.648 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 -4.278 16.880 -15.015 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 -0.710 -3.351 -1.780 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 0.541 -6.210 -12.432 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -7.715 5.788 2.889 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 -0.218 -4.121 -7.534 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 -9.335 4.769 3.580 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 2.390 -24.450 -12.549 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -2.366 2.298 0.889 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 10.502 -18.704 -0.361 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 22.755 -8.541 -39.109 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 -1.869 -6.519 0.616 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 5.199 1.111 -14.417 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -8.013 -7.831 -19.522 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 0.214 -2.513 -2.246 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 7.147 0.321 -22.445 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 21.823 -16.947 0.808 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 3.545 -2.026 6.959 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 -8.337 4.586 11.677 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 3.617 -8.775 0.822 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 5.404 -0.036 -1.127 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 19.501 -6.946 -12.268 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 11.452 -2.462 -5.739 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 -0.305 -1.497 4.460 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -27.185 -33.971 3.963 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 1.178 1.285 8.495 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -10.272 3.558 -7.007 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 20.569 22.723 19.030 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 14.236 15.810 14.066 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -2.795 -0.885 -0.380 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 9.141 -3.843 -1.613 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -12.953 12.067 2.594 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 -0.199 -4.115 -0.064 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 -8.180 -3.119 -4.490 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 7.154 10.290 -6.141 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 3.566 0.254 -1.178 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 9.109 16.133 17.994 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 8.555 7.650 -21.359 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 -4.855 0.965 7.269 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 2.167 -11.407 11.978 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 -3.864 -13.665 5.926 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 -4.407 4.426 -4.270 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 -11.340 -3.146 -9.166 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 -9.617 -8.612 -3.445 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 -7.637 -0.740 0.143 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -16.026 8.782 18.550 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 -16.989 -11.211 -6.831 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 4.171 5.885 0.826 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -25.172 -33.525 -7.172 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 3.224 4.448 2.983 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 0.983 0.274 1.738 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -12.561 -4.321 -1.088 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 5.482 3.807 14.667 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 4.117 3.874 -0.687 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 0.329 9.053 11.186 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 -20.639 12.468 -13.321 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -4.369 -2.261 -1.625 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 -30.361 -15.351 -2.204 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 7.853 -3.316 -5.745 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 2.024 -2.929 -0.305 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 -7.587 4.825 0.439 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 -3.463 -6.088 1.037 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 -2.101 -0.063 3.930 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 -24.083 2.336 19.106 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 -4.969 -2.011 2.021 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 1.367 4.158 1.883 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -3.498 0.865 9.868 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 21.963 1.451 -10.575 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 -8.882 2.406 -6.310 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 -26.270 -17.463 12.565 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 -7.167 -1.858 0.682 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 4.976 -7.460 -3.202 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 -19.487 -15.235 -6.767 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 7.952 1.516 -23.823 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 5.813 -4.137 -4.689 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 -25.444 8.933 -1.650 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 15.715 -13.706 24.506 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 -5.950 -0.357 6.192 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -4.353 -0.966 6.807 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 -2.462 20.741 -2.027 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -1.317 12.419 -6.801 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 7.849 1.302 -13.353 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 -30.670 21.352 0.300 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 -2.484 5.431 -0.319 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 10.896 36.362 -2.975 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 1.707 10.628 -1.963 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 3.631 -3.994 6.136 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 -3.945 2.701 2.668 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 11.167 -7.541 9.876 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 0.923 2.522 4.314 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 12.922 3.011 -7.343 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 3.217 3.709 4.744 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -1.958 3.134 -0.171 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 13.758 11.282 -0.176 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -8.560 3.430 -17.251 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 8.603 -0.268 9.464 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 -8.539 -7.607 0.542 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 10.103 -3.303 -10.068 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -8.851 5.492 2.716 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 22.774 -2.831 -16.556 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 -15.927 -6.097 -17.627 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -3.430 -3.335 2.135 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 1.849 5.192 3.760 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -8.563 5.347 -0.811 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -0.607 3.041 1.071 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 0.717 0.887 -9.027 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -0.378 28.786 -9.448 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 -3.149 -1.785 -0.040 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 2.542 0.444 2.475 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 -3.953 -0.999 -2.770 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -1.461 3.639 0.567 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 -21.226 -20.888 -7.399 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -5.871 -2.122 0.492 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 -2.681 -6.871 -5.063 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 -13.264 -8.536 3.675 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -12.020 12.045 -8.725 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -7.585 -0.616 2.838 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 -2.557 -21.897 25.938 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 1.767 -2.271 -0.773 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 0.508 -2.052 -5.479 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 0.873 -2.820 5.266 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 -2.096 -9.113 -7.848 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 0.784 -6.152 6.182 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 21.631 -14.506 -20.869 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -7.600 -3.923 13.857 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 8.063 3.578 0.735 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -18.406 -15.305 -0.782 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 6.564 0.990 0.776 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 2.577 3.023 -9.396 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 10.052 -9.502 -7.032 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 8.217 6.840 -5.033 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 2.225 -4.827 0.333 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 -16.573 -22.686 13.013 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 22.143 -2.148 20.759 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 2.180 1.768 -5.392 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -21.054 0.624 25.564 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 15.986 3.600 -22.148 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 0.505 -4.324 -6.715 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 25.458 -18.144 -3.266 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -15.882 -21.972 2.469 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 -1.615 2.187 -3.431 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 1.709 -14.142 3.037 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -9.496 -6.508 0.749 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -2.251 4.599 3.653 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 1.839 8.968 4.349 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 -6.386 0.523 4.249 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -0.372 -1.525 1.973 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 -1.950 -1.525 2.690 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 1.810 11.178 -11.307 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 -4.010 -3.410 4.977 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 1.010 2.442 5.921 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 -5.187 -4.179 5.657 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 2.232 0.648 0.595 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 4.237 1.081 12.386 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 -0.407 0.180 2.030 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -3.317 -0.225 0.153 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 5.332 -3.254 2.492 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -0.148 11.908 -17.407 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 3.757 -1.888 -3.887 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 15.941 -4.623 3.746 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 14.493 -7.530 -13.413 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 -3.485 -2.846 3.189 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 -5.349 -3.029 0.811 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 -4.304 -0.341 5.784 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 2.687 10.325 1.691 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 43.323 -11.135 10.349 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -25.128 22.153 -3.456 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 3.485 0.533 2.615 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 1.097 2.731 33.034 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 3.840 -3.374 -16.938 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 -3.823 0.816 5.722 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -0.411 6.787 27.935 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -6.433 4.680 11.976 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 2.232 -0.304 1.991 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -21.432 12.245 22.981 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 17.212 18.925 -18.627 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 4.208 0.687 -5.249 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 2.670 6.780 1.943 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -0.583 1.766 5.088 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 -6.565 -3.748 -5.500 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 -14.684 1.886 3.016 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -18.635 1.535 11.432 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 9.138 3.206 2.219 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 4.666 24.313 -7.342 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 -12.373 -8.365 -2.636 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 -1.015 -0.771 -0.681 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 2.137 1.955 -0.144 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 2.200 -10.759 -0.206 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 -3.092 -2.550 -0.684 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 -0.921 2.862 -8.396 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 -5.786 -4.611 7.398 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -5.036 10.593 2.951 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 -0.784 32.066 12.000 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -1.877 -10.604 -21.711 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 1.828 -4.424 -1.183 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 11.591 6.003 -10.362 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 6.955 -0.793 -2.151 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 3.515 -2.304 -2.965 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 13.163 -2.904 -9.691 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 -1.282 -15.027 9.560 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 -2.248 -0.228 -1.579 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 3.834 28.424 -6.588 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 -26.093 0.620 14.551 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 -4.935 2.735 -2.702 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -2.875 11.202 -5.690 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 -10.765 -6.626 18.730 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 -1.448 4.284 -4.087 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 -3.720 4.713 3.486 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 0.057 10.753 -6.050 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 1.830 0.637 1.508 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -2.573 22.263 -17.227 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 15.053 -3.624 -13.487 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 -1.880 0.274 -0.071 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 9.422 9.264 16.319 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 6.301 -7.458 0.793 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -5.500 -3.729 4.720 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 -8.331 -0.261 -10.017 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 -7.885 -0.417 -2.326 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 -8.735 3.338 -0.359 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -16.707 3.540 -4.386 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 -16.265 1.786 -28.737 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 5.730 7.030 1.158 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 14.182 -12.633 17.140 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 -17.302 -1.554 -9.420 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 7.138 -3.749 -0.908 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 10.819 17.013 -1.748 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 -1.330 -21.234 -12.698 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 3.064 -2.550 -5.957 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 3.142 3.145 -18.467 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 16.132 -7.904 -3.298 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -1.477 -3.409 1.109 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 4.540 10.492 -7.226 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -5.339 2.589 15.880 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -2.109 1.234 3.978 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -14.823 -9.175 11.703 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -9.248 11.217 -6.622 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -0.267 3.558 4.889 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 1.656 3.944 6.396 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 20.317 -1.548 4.853 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -0.973 1.084 -4.552 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -24.195 -1.895 -18.592 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 -9.275 -6.045 17.582 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 6.279 -1.763 -1.171 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 4.585 -0.865 -12.428 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 8.313 -10.348 -5.134 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 0.425 0.785 3.855 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -5.325 2.216 19.403 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 9.026 3.543 -9.554 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 1.125 0.116 1.043 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -18.349 -8.257 19.147 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 30.525 13.080 -24.447 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 8.692 6.970 2.596 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 8.969 37.956 -13.571 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 29.295 11.450 -14.356 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 -4.656 6.537 2.032 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 9.079 -6.231 24.490 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 12.432 -13.272 18.250 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 0.249 -2.862 4.226 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 7.019 1.944 1.153 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -13.223 -14.139 18.088 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -5.249 -17.513 -4.052 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 -12.118 4.334 3.344 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -12.156 -14.208 -9.293 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 -1.066 -0.565 1.194 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 -5.503 1.869 4.322 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -0.948 1.006 -0.528 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 4.673 5.781 3.669 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 -2.716 -3.501 7.314 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -1.863 10.481 0.329 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 3.522 1.379 -5.855 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -7.547 -41.261 -9.175 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 6.007 8.764 -2.387 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -1.411 6.943 -2.329 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 -8.732 10.661 -5.826 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 -0.171 3.745 -8.543 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -0.873 -0.494 -3.084 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -2.397 -16.445 -7.481 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -3.482 -20.238 -7.888 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 1.269 -2.357 -7.442 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 0.306 18.721 5.375 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 6.958 -19.271 6.080 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 -4.893 1.153 -5.816 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -3.677 9.352 5.296 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 -18.955 -11.198 -34.673 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 1.224 -6.280 -7.211 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 1.579 20.761 -2.494 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 4.340 -3.265 -3.330 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 2.594 0.462 2.957 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 1.688 1.799 11.896 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 2.175 0.746 5.586 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 -2.375 -3.903 0.902 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -2.642 -9.879 -6.006 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 0.248 -9.316 7.522 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -1.905 5.015 2.736 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -17.379 13.342 22.436 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 8.420 -17.281 8.097 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 5.296 2.230 -5.634 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 18.111 19.526 -0.183 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 0.810 -5.127 -6.974 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 0.720 0.871 -0.149 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 1.237 2.755 1.073 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -15.231 -7.118 -4.963 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 -8.298 -4.397 1.330 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 20.249 0.104 -5.303 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 -9.803 9.221 34.792 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 2.477 3.419 6.877 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 -6.719 4.658 10.960 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 27.927 -2.671 -8.255 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 0.526 -3.051 4.386 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 0.901 32.222 -8.276 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 18.687 -5.787 -10.043 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -5.878 4.494 2.254 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 17.307 25.383 -0.278 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 10.723 15.260 -0.992 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 0.518 5.860 0.156 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 -0.888 23.782 -12.061 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 3.596 -14.921 -3.912 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 7.762 -1.402 -9.143 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 -1.755 1.003 0.827 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 18.290 -2.937 -5.221 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 4.561 -0.715 -3.900 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 1.489 3.327 28.294 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 -2.543 8.433 11.189 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 -0.273 -3.412 0.380 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -8.237 -25.660 22.683 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 -3.516 -11.226 7.360 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -4.155 1.428 -4.816 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 0.399 -11.538 -1.677 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 -0.318 6.799 0.596 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -0.817 4.549 -0.552 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 4.451 -12.191 -7.751 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 3.019 6.208 -10.533 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 -5.595 -4.444 -2.878 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 5.803 1.552 6.417 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 11.315 5.665 12.171 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -4.763 -0.342 3.900 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 7.115 -0.394 23.459 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -2.760 10.477 -30.171 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 -4.908 5.216 3.208 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 -7.663 4.446 -23.073 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 4.047 3.946 0.081 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 2.104 -6.959 5.655 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 -4.841 -3.947 1.297 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 12.496 4.573 8.134 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 3.845 -6.081 -4.491 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 -1.651 -6.591 -12.860 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 8.819 -11.601 -3.732 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -2.624 -1.149 4.273 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 -5.872 -0.895 12.272 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -3.584 6.877 0.280 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -1.386 -2.546 -2.489 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 6.397 -9.465 -12.682 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 1.431 -6.925 -10.516 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 0.250 -1.501 -0.440 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 5.786 -9.176 -8.574 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -13.173 17.666 17.500 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 -8.177 0.794 0.808 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -16.229 -5.789 -6.595 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 6.083 -0.761 -2.214 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 3.287 -1.947 -0.594 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 3.887 0.811 -7.951 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 8.647 19.902 -4.372 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 1.365 -2.389 -5.553 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 1.251 24.503 -5.210 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 22.055 0.143 -4.398 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 0.700 -0.636 -1.578 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 4.991 -13.707 -4.980 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 -14.661 -15.654 -10.115 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -2.946 2.469 -9.624 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -3.249 5.885 -4.470 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 4.338 -0.637 -3.539 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 1.898 0.924 -0.394 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 4.035 -26.571 8.907 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 32.580 7.255 -3.088 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 2.386 3.494 -4.686 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 4.357 3.256 -13.906 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 -4.284 8.544 8.912 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -2.514 0.064 -4.294 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -15.260 -11.463 -2.075 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -3.015 -4.256 11.072 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -0.981 5.123 3.297 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 7.593 9.831 5.161 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 -9.125 -1.482 -5.231 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 2.423 0.957 0.071 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 0.603 12.248 -6.409 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 4.114 3.119 0.003 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 2.643 -0.715 8.209 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -1.457 -0.321 23.906 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -0.616 10.738 20.898 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 2.907 1.456 -3.537 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 18.896 -16.612 8.243 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 8.703 -4.989 9.389 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 5.015 1.032 -2.340 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 14.547 5.517 1.278 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 18.965 7.710 12.145 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -2.125 -0.356 -1.455 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -5.693 -13.522 4.052 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 -12.564 9.120 3.430 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 -10.428 -2.762 3.699 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 -0.021 -15.046 9.332 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -19.947 10.588 0.563 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 1.416 -4.594 2.123 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -10.233 -13.728 -0.075 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 5.458 -6.312 16.385 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 0.406 4.386 -1.441 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 0.137 25.818 -2.291 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -8.407 0.388 5.265 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 6.592 0.826 4.079 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 5.564 6.896 -4.242 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 6.695 -0.034 12.151 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 -3.868 5.095 3.926 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 0.983 7.746 -4.238 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -0.875 8.182 11.444 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 -3.816 8.796 -6.596 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 -6.111 -4.710 -7.921 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -5.905 -32.048 6.641 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 2.525 -3.170 2.925 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 10.336 -3.011 8.960 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 4.152 10.112 -9.114 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -0.657 3.717 3.819 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -3.106 2.303 2.732 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 -9.372 -8.387 2.341 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 9.061 -1.909 1.114 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 -10.272 -5.450 37.239 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 6.618 -1.863 6.735 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 1.530 4.575 -1.138 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 4.809 -5.964 11.509 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -2.318 19.894 -19.401 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 0.051 2.643 -0.022 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 11.419 9.593 19.279 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 -34.683 -16.700 12.154 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 2.215 -2.896 2.767 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -1.457 -8.329 -3.496 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -8.210 24.839 15.851 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -1.312 -0.577 -3.999 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 11.696 1.697 1.091 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 -5.648 -1.660 -11.422 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 0.802 0.789 3.536 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -1.876 -10.743 14.335 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 2.457 -3.164 -8.786 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 1.099 -0.555 -1.305 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 4.328 -16.782 15.326 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 -2.981 4.622 -15.342 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -3.799 -1.709 1.666 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 -4.050 -3.921 0.517 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 -2.608 -20.537 -14.257 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 5.584 -8.223 5.665 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 -13.943 -6.650 27.848 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 12.560 1.812 3.979 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 -2.356 -0.031 -1.561 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 14.337 11.126 3.106 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 -21.325 -12.914 -7.236 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 0.982 0.523 3.552 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -4.798 -7.032 -5.221 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -3.411 3.741 -2.038 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -0.500 -7.224 -0.303 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -7.165 -18.304 -6.634 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 8.906 -2.167 -13.841 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 -4.154 0.813 -8.931 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 1.615 16.403 -1.562 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 -1.397 -11.141 3.253 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 -1.829 0.915 7.927 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 22.989 -7.179 13.971 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 2.343 24.234 -1.821 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 -1.303 -8.009 -0.522 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 0.495 -21.121 -14.533 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 12.646 10.485 -1.664 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 -2.006 5.477 -6.059 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 5.718 -23.707 7.598 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -29.040 0.506 5.898 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -3.135 -5.508 -6.103 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 5.927 -27.180 -22.712 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 -14.969 5.227 -14.888 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 5.373 4.270 -0.236 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 12.985 14.235 -1.272 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 8.567 7.735 0.314 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 4.997 0.789 6.849 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 9.933 7.807 5.090 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 -1.089 -1.896 12.429 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -2.443 -0.947 -6.420 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 20.940 3.850 8.716 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 20.476 21.601 14.165 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -4.610 2.221 0.661 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 4.446 -11.919 -5.960 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 3.547 -15.955 -13.057 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 5.106 4.527 -7.188 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 27.293 -22.968 6.340 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 6.055 -15.479 2.390 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 -0.175 2.272 2.544 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 -3.563 13.770 4.362 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -11.243 -16.813 -2.424 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 0.699 -3.295 1.890 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 2.783 7.264 -2.218 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 -0.040 -5.858 4.238 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 0.501 8.995 -6.994 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 -2.178 10.290 -8.626 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 1.001 10.314 -11.910 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 3.155 -2.961 -3.396 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 -17.428 -20.859 -17.358 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 17.042 6.283 5.996 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 4.735 5.610 3.945 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 2.541 1.506 25.457 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 10.252 14.750 0.615 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 2.656 -6.350 0.025 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 -7.331 -14.382 5.831 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 10.058 -2.696 -3.885 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -0.794 3.094 4.446 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -18.068 -3.991 -14.965 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 33.395 19.565 -41.107 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 1.036 4.121 1.245 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 13.825 7.859 19.792 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -10.841 21.105 4.921 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 1.407 1.114 5.487 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -3.685 -19.355 15.400 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 7.069 6.060 -19.522 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 4.066 4.889 -0.897 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 8.995 28.689 31.542 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -18.439 -31.434 7.993 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -2.282 4.731 2.203 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 3.235 8.767 -0.937 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -6.795 9.055 -8.543 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 -0.716 -8.902 8.237 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 2.915 -1.464 1.040 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 -11.567 -9.878 17.574 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 6.706 -0.893 -1.484 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -6.698 -1.810 10.140 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 0.380 8.105 -0.463 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 -7.004 4.408 -3.055 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -37.270 17.686 -2.328 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -10.896 8.985 -5.227 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 1.486 -7.852 -2.370 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 2.058 -0.795 2.639 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 -3.991 -3.026 -4.887 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -2.560 3.384 -7.318 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -2.394 -14.144 -13.018 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 1.305 -15.737 1.722 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 -4.531 7.349 -7.296 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -3.051 8.361 -5.740 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 -14.559 5.333 -9.730 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -5.332 7.498 -1.318 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 5.209 -4.857 16.106 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 1.968 -14.296 26.140 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -3.181 3.102 -0.357 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -0.143 -0.370 -3.864 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 -8.131 2.789 -0.009 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 1.992 -0.460 -4.735 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 5.804 -11.010 4.655 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 5.900 -9.508 3.064 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 5.927 1.246 2.793 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 7.973 -0.822 6.969 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 4.061 1.051 -2.431 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 1.877 7.806 -0.549 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 8.224 5.683 17.254 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 9.670 5.340 2.160 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 -2.769 -1.427 -1.572 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 -9.440 -2.675 -3.670 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 0.263 1.684 5.710 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 2.364 5.075 5.420 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 7.045 -5.682 0.540 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -8.422 24.931 16.180 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 -0.453 5.223 -1.020 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 10.427 -2.111 0.767 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 3.500 7.844 -2.423 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 0.251 -0.793 2.265 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 5.281 -3.146 19.347 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 0.305 -9.205 2.358 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 3.201 7.014 3.159 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 -3.470 10.919 -11.315 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -1.788 18.450 8.479 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 5.075 -0.145 0.631 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 11.374 2.566 -7.104 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 15.855 -2.707 7.029 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 2.231 4.066 0.713 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 6.460 10.555 -4.841 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -17.170 -9.123 11.668 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -1.618 -5.169 -4.657 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 -0.406 13.462 4.312 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -13.739 -4.514 5.603 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 7.016 1.505 0.833 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 2.765 0.862 -7.607 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 -17.640 12.140 1.841 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 -8.957 4.201 1.996 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 -5.196 5.096 -14.979 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 9.719 -9.648 3.287 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -9.437 -2.573 5.501 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 3.148 1.111 10.192 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -17.043 -7.790 2.750 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 3.869 -3.913 1.865 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 3.704 -3.893 -2.324 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 9.125 -4.623 8.065 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -1.265 2.013 5.449 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 11.199 3.757 2.860 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 7.482 11.186 -15.443 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 4.640 -1.518 2.586 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 -0.642 2.636 -2.751 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 -17.140 13.834 -19.320 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 2.328 -1.592 2.270 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 15.424 5.372 5.937 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 -7.850 9.870 5.232 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -0.993 -2.663 2.318 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 26.146 -10.487 -6.342 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 1.563 -5.891 -7.237 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -1.617 4.060 -4.960 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 14.517 17.856 -5.824 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 1.105 26.328 -6.075 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 -8.870 0.408 1.406 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 1.913 5.290 5.766 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 -4.679 -13.865 -9.799 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -3.509 -9.137 6.874 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 -3.718 -1.197 -0.563 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 -1.667 -5.537 17.981 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 3.299 -2.677 -0.352 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 2.072 -18.098 11.573 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 12.710 14.474 11.654 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -3.822 -3.386 3.306 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -1.534 -18.928 16.142 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -17.263 8.291 12.463 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 4.039 3.178 0.849 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 7.786 -1.020 12.554 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 -4.814 -1.550 -17.036 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -5.450 0.623 -1.456 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -3.883 10.489 -22.321 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 6.612 -3.641 4.519 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 0.184 2.612 2.152 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 -1.870 1.926 4.024 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 -13.194 -4.867 13.745 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 0.994 -2.354 0.114 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 0.777 -2.336 -0.394 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -6.755 18.564 -2.738 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 3.728 -10.931 6.339 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 30.907 10.091 -17.559 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 2.853 9.864 43.637 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -3.065 7.370 4.921 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 4.689 -4.308 -5.091 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 6.895 -12.656 -8.809 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -0.121 4.488 1.404 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 -3.034 6.474 13.518 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 -2.663 13.091 -6.581 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 -3.233 4.539 -5.188 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 -3.307 -3.444 11.672 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -3.502 -2.838 9.586 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -1.457 2.811 -1.005 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 14.562 12.837 -4.875 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 -2.070 6.952 7.783 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 -2.705 0.244 1.544 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 7.107 -3.757 11.500 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -2.731 -0.975 -1.121 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 -1.750 -10.046 -6.339 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 22.016 -0.719 -0.380 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 4.032 11.541 -6.271 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -2.020 -1.861 0.281 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -1.916 -5.412 22.507 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 13.617 14.594 -5.075 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -1.143 4.773 -3.947 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 6.281 1.893 -22.687 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 -14.185 12.983 19.144 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 2.557 0.578 5.713 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 6.909 1.586 -8.788 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 6.876 -13.120 -11.453 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 0.245 -6.085 -0.903 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 2.877 -8.556 6.951 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 13.630 -6.340 6.762 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 2.020 -2.288 -0.238 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 6.358 1.960 14.966 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -5.119 -4.988 -2.459 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 4.606 2.404 -1.203 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 16.824 -2.176 7.068 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 12.209 17.181 -9.783 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 2.872 -1.052 4.639 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 -10.574 -11.266 -7.823 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 -2.060 5.864 -11.864 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -3.073 7.598 1.545 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 29.590 -11.554 7.548 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 14.095 5.748 7.934 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 -0.903 -0.810 4.509 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 18.349 -13.393 22.873 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -18.954 0.273 -15.749 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 6.429 -3.813 -5.644 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 -4.732 -11.687 2.169 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 16.412 13.309 1.931 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 -1.439 -6.759 0.835 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 -6.235 -0.867 5.862 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -8.815 -33.195 -15.958 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -1.680 3.198 3.656 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 9.166 -6.982 -17.773 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 6.976 -5.423 -8.696 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -5.173 -3.996 2.392 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -13.907 3.155 -29.123 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 -8.235 9.871 17.326 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 -0.047 2.827 0.638 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 -10.048 5.447 -4.858 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 5.792 -2.453 -6.992 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 5.376 -2.452 -2.011 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 13.375 7.033 9.080 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 16.203 -2.228 -11.973 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 -1.466 4.019 2.426 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 -11.509 8.991 -5.148 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 2.140 9.890 4.819 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 -2.900 5.555 5.916 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 0.061 -9.462 -4.461 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 0.322 -8.683 -4.438 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -6.522 3.082 -3.097 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 -18.468 -2.541 1.288 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 -4.047 -3.627 -14.903 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -0.359 -2.060 -4.370 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 -6.782 7.106 -8.624 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -10.251 17.380 -7.364 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 4.851 -2.336 -5.019 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 -15.642 -3.402 -5.418 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 -13.287 -5.769 7.223 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -2.922 -0.340 -0.883 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -2.193 2.734 -2.451 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 -1.419 10.591 -3.329 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 0.282 -3.960 -0.721 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 -11.596 21.911 -3.458 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -30.239 -17.901 5.379 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 -2.316 1.271 8.129 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -5.279 -7.377 8.977 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 2.809 3.629 5.847 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 3.139 0.562 -0.382 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 27.435 5.182 8.809 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 20.924 -12.035 -9.891 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 3.525 2.566 -0.530 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 0.528 -5.611 18.207 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 14.474 -16.430 4.718 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 -3.619 4.320 3.144 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -3.174 2.510 3.276 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 -5.220 5.548 2.075 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -1.033 2.817 0.407 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 -2.826 10.030 2.837 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 -4.665 -0.783 10.229 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -8.668 5.461 -1.109 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -16.785 15.100 15.531 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 11.187 5.566 -1.483 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 -3.700 -9.171 5.165 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 -0.534 -11.900 -0.274 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 -21.468 -32.286 16.263 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 0.343 -5.022 4.177 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -12.171 2.478 -2.772 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -13.625 -21.521 -0.188 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 0.315 6.748 2.042 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 19.856 8.779 11.720 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 -8.370 12.989 -13.597 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 3.516 -4.415 3.918 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 1.150 -2.466 0.935 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 11.724 -17.057 8.123 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -2.007 -0.042 -0.578 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 8.948 4.418 7.146 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 -7.196 -2.835 -4.333 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 8.311 2.425 1.417 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 10.277 7.173 3.217 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 11.497 0.401 3.018 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 0.859 2.732 2.912 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 7.459 1.767 -0.494 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 -1.875 -0.807 -1.248 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 9.680 -1.608 1.394 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 -1.050 -9.656 1.602 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 3.012 -0.589 3.872 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 2.905 -3.515 5.414 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 1.052 2.375 0.063 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 1.276 3.363 10.825 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -5.874 -3.044 -0.704 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -6.400 -1.959 -15.466 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 -8.932 -0.439 -17.392 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 0.513 -3.288 3.224 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -6.714 0.981 9.523 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 9.558 -0.508 -5.507 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 5.199 -2.697 5.707 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 2.380 -1.086 -14.481 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 4.831 9.538 -19.859 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -0.064 -7.836 4.472 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 24.498 -19.199 14.793 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 8.968 -2.951 11.502 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 3.235 4.707 -4.140 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 4.203 2.845 -5.800 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 1.059 6.633 -0.801 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -6.891 2.884 -1.582 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -0.244 -20.900 3.723 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 5.222 -1.303 0.170 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 3.434 1.608 -3.680 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -19.099 -5.542 3.180 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -16.517 -0.398 -5.261 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -7.394 -2.047 9.204 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -0.082 -5.784 20.996 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -18.179 -7.661 -6.138 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 -0.053 -2.996 -1.520 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 -14.471 4.802 2.148 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 20.642 -13.923 -2.657 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 0.616 -7.266 -5.002 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 17.329 5.065 -4.684 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 -1.189 -17.002 0.731 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 -0.172 -5.730 7.664 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 -2.186 -12.759 7.261 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 3.458 -6.648 8.197 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 8.006 4.397 -1.458 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 -6.232 14.663 14.107 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 21.396 -3.895 -15.905 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -7.144 0.472 -4.365 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 23.160 3.492 29.303 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 2.774 -36.746 -13.988 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -4.893 1.909 -0.172 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 1.685 -1.248 5.674 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -4.135 -6.871 -37.773 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -1.804 -0.564 -1.053 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 1.658 6.708 8.717 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 25.626 -12.827 11.138 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 6.538 0.203 -2.569 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 4.435 -3.119 7.070 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 0.115 1.814 -9.461 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 2.761 4.498 -2.622 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 3.491 5.236 0.765 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 3.971 2.588 -5.617 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 -4.485 1.045 2.374 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -9.082 -4.012 14.736 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 1.107 3.900 -14.599 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 0.350 -2.175 -6.263 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 -17.318 -19.554 3.371 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -8.711 -7.630 3.176 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 -3.166 10.113 5.565 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 21.280 14.440 -2.464 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -3.466 -3.377 0.192 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 -7.207 -0.936 -3.236 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 2.544 8.958 8.668 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 -16.556 -10.938 -13.788 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -0.519 1.025 2.122 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -3.514 4.554 0.167 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 -5.438 6.425 -1.099 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -3.040 0.729 -3.807 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 9.212 9.184 -8.598 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 -6.668 -8.378 -7.638 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 -3.121 2.113 0.276 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 -2.777 7.925 6.738 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 3.306 1.099 -14.469 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 2.130 -7.939 1.512 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 1.715 1.024 -14.448 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -18.292 -9.787 1.450 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 1.799 3.864 5.786 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -31.186 16.845 3.599 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 -16.577 5.805 -8.077 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 2.249 4.126 6.135 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 16.299 -5.656 22.034 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 -13.473 2.257 2.208 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 -0.965 -2.894 8.586 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 10.969 -1.913 2.622 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 -30.019 -13.623 -12.737 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -2.928 1.872 2.298 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 -6.161 -0.862 18.062 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 -12.110 10.722 4.930 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 3.118 3.706 4.238 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -6.892 -5.426 3.078 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 4.814 -9.118 -9.647 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 -2.177 -2.822 1.161 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 -19.997 14.117 -24.866 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -2.472 -7.145 43.385 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -6.454 -2.609 5.731 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 17.096 -17.583 10.081 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -1.582 -0.300 -17.705 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 2.438 -1.266 -0.019 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 1.707 8.175 0.862 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 1.828 15.127 3.495 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 -2.557 -3.123 1.997 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 8.679 20.816 -10.661 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 -3.160 -16.677 -4.235 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 2.618 4.369 -4.122 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 0.943 10.187 -8.799 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 2.529 -15.430 -8.466 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -2.623 1.657 -1.904 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -1.771 -17.336 -11.821 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 12.075 -15.925 -16.479 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 9.933 -9.370 -0.591 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 25.606 -11.961 -28.708 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 7.754 -19.239 -0.758 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 3.067 3.060 6.699 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 4.006 -5.469 1.315 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 5.148 -6.466 1.781 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 -1.635 0.369 -1.393 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 2.630 19.788 -2.709 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 -8.806 18.603 7.325 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 -1.378 5.113 -2.135 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 10.166 15.821 7.614 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 -17.947 -8.049 13.621 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 4.895 3.939 -3.325 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -4.265 1.444 -2.915 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 0.178 -21.516 -11.230 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 3.111 3.312 4.992 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 9.238 -2.297 11.974 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 7.031 6.033 15.856 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 0.356 -3.744 -5.786 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -9.412 -24.123 -4.893 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -9.096 -9.223 -1.412 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 -0.909 -1.224 -2.850 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 3.311 -1.824 7.334 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -22.059 17.000 -6.071 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -3.927 -0.497 3.800 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 2.626 -0.144 0.045 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -13.847 1.272 -4.228 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 -6.228 -3.954 4.199 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 1.835 -13.831 18.285 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 -11.539 -0.945 10.269 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 3.689 -3.883 -2.554 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 5.734 14.652 -10.227 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 19.396 -29.133 11.986 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 1.471 -2.725 -4.640 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 9.028 -19.273 -4.945 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 14.092 8.487 0.868 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 -5.788 6.137 -7.482 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 7.374 11.065 -5.552 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -4.310 -7.711 -12.496 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 2.597 -1.056 4.200 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -2.115 -2.440 5.880 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -9.568 -12.158 3.740 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 -1.640 -1.859 1.000 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 8.121 10.190 -20.405 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 -25.350 -2.248 -4.528 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 0.796 -2.111 9.336 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 1.426 -9.586 16.304 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 -7.849 9.245 7.488 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -4.231 4.475 0.937 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 1.684 14.186 1.408 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 4.418 19.662 -15.453 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 -7.221 -2.927 9.633 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 8.493 -9.818 -2.111 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 8.467 -4.995 25.788 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 0.506 1.283 7.641 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 2.256 10.428 -3.556 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -3.467 -2.862 12.866 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 -0.271 -0.048 -3.882 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 3.699 17.947 -15.615 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 14.249 -3.292 5.432 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -1.878 0.559 -4.816 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -3.913 -7.782 -7.280 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 4.176 4.265 1.748 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 7.610 -2.591 0.245 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -1.923 -6.040 -22.676 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 16.370 12.708 10.495 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -10.298 3.608 -1.914 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 9.196 13.860 3.977 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 7.898 12.229 -0.720 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 -0.702 1.496 -0.023 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -1.248 -0.824 -0.212 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 -1.661 -13.149 -4.007 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 3.812 -0.252 3.803 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 -1.626 -22.805 14.188 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 3.919 10.784 0.229 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -0.670 2.572 -5.807 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 -2.992 4.027 3.321 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 -3.083 -6.465 14.865 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 8.195 1.537 1.164 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 37.259 2.555 8.491 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 3.808 -2.686 0.008 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 3.213 3.372 2.456 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 8.191 0.498 -21.473 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 17.083 4.305 -14.226 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -2.212 -2.183 -3.486 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -17.339 -11.299 7.871 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -9.857 -14.749 4.719 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -2.807 2.867 3.800 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 2.865 11.373 1.112 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 7.416 1.820 11.649 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 4.004 0.439 5.251 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 5.191 -6.441 3.613 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 4.320 0.844 5.839 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 -3.085 2.820 3.176 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 35.352 0.950 -7.405 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -10.322 -10.418 18.232 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 -0.975 -4.424 -6.637 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 6.979 4.742 -11.748 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 5.351 -0.675 21.897 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 0.134 1.227 -2.542 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 1.660 -20.501 5.347 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 1.327 24.296 0.179 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 0.874 4.712 4.448 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 -26.552 5.344 -3.201 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 11.679 5.190 7.762 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 4.146 3.844 1.711 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 17.226 -3.662 -20.270 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -29.092 -15.154 -14.820 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 3.594 -8.848 -1.558 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -16.721 -9.299 -7.550 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 9.782 3.016 -7.277 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 -4.448 0.662 0.353 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 -7.088 -0.684 8.269 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 -24.920 -6.603 4.848 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 -4.756 -0.347 1.677 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 -10.921 -6.725 1.792 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 -5.050 -1.510 1.530 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 -6.552 -0.394 0.298 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 1.987 4.639 9.027 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 5.875 1.563 -5.350 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 5.419 -4.004 5.468 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 21.820 4.476 14.626 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 0.162 -5.331 12.688 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 0.719 -1.699 5.002 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 22.382 31.240 18.888 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 19.934 0.972 4.318 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -1.217 -3.107 -7.037 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 0.138 0.871 -8.063 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 2.016 11.686 -11.202 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 3.360 1.274 -2.288 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 -1.863 1.573 2.136 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 1.072 2.421 -7.826 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 2.011 1.369 0.127 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 10.830 3.483 8.991 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 6.681 7.526 1.820 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -3.750 -5.671 1.497 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 -1.175 19.198 -6.132 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 -2.711 -17.383 1.414 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 -7.068 1.767 0.502 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 2.536 16.000 5.376 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 1.352 -10.729 -18.466 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 3.596 2.353 2.505 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 -9.982 8.660 -1.025 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 17.549 -18.283 -10.011 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 3.671 6.034 -5.433 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 9.694 4.624 3.685 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 -3.890 12.178 -1.969 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 1.746 -2.720 -3.598 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 1.129 12.991 -7.276 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 -12.136 -5.891 -3.010 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -3.957 7.776 -1.212 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 -5.485 -3.978 -22.532 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 13.680 -2.148 10.099 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 5.021 -1.622 2.905 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 -6.414 -0.466 0.680 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -0.510 -5.812 3.631 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 -3.339 3.310 3.155 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -3.321 -1.066 0.543 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 3.476 4.030 3.960 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 -3.596 -7.938 0.661 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 -1.954 -5.139 -0.060 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -6.600 -20.276 -14.895 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 6.394 3.222 -1.943 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 4.660 -2.714 -5.140 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 6.903 -3.851 -6.269 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -4.461 -5.224 -1.546 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -4.763 -11.911 -14.965 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -3.673 -2.657 2.150 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 -3.194 -4.060 -2.077 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 -7.562 -7.768 5.005 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 5.979 -15.755 -1.739 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 -5.851 -5.389 -5.568 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 9.569 8.459 -6.586 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 -13.467 -8.648 22.479 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 3.970 0.153 0.287 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 2.950 -4.270 -2.203 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 2.712 -2.184 -8.576 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 -0.526 -0.176 1.779 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 21.703 -3.891 -6.191 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 16.625 -4.577 23.012 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 2.491 2.641 1.642 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -4.812 -16.622 -3.813 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -5.025 18.831 -7.588 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -5.833 1.561 2.318 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -18.732 17.465 -8.438 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 0.647 -5.020 -3.168 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 3.516 2.750 1.766 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -20.416 -17.419 -5.561 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -15.195 3.286 -4.493 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 2.054 5.759 -3.373 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -1.284 14.898 -1.106 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -11.575 18.354 0.196 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 3.127 3.134 -1.038 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 17.296 2.741 -12.268 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -9.449 17.635 27.573 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 -0.717 -7.233 1.241 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -8.324 -11.154 -9.396 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 13.870 1.357 22.662 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 -4.783 -2.732 -6.748 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -0.623 2.439 -13.520 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 -9.492 -11.594 2.459 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 1.046 0.688 3.431 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 3.486 14.252 10.227 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 -6.568 -5.474 2.607 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 -4.925 2.371 4.640 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 2.136 1.096 20.696 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 5.546 -6.572 -5.415 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 1.970 -0.177 -0.497 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 -10.537 6.880 14.209 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 -3.224 1.743 -2.622 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 0.215 -2.738 0.037 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 10.408 -3.420 -1.279 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -6.180 12.347 -5.167 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -0.381 1.488 -1.014 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 -10.552 -5.452 2.136 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 0.270 13.917 -12.446 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 -1.965 -2.547 1.187 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 -6.742 7.589 -4.284 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 3.888 7.024 13.155 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 5.081 -5.474 -2.853 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 10.157 0.564 10.677 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -6.443 -1.630 -4.060 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 -2.552 2.083 -2.940 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 1.576 1.986 -5.370 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 -12.201 4.237 -6.942 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 4.459 -3.018 -1.608 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 5.086 -11.156 0.100 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 6.067 -4.515 8.887 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 -4.340 12.189 11.490 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 -8.514 7.371 8.584 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 -34.532 6.733 -10.450 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 0.347 -4.140 -2.833 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 -3.496 -4.863 -6.505 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 -1.765 1.236 -1.600 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 9.192 0.383 -9.983 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -10.487 1.251 0.361 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 6.793 3.407 -7.081 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 1.927 11.321 8.355 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 4.146 16.569 -4.860 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 3.928 17.036 -5.852 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 1.939 2.103 -1.979 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 -16.492 -0.699 5.410 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -7.660 -2.155 11.137 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 -2.892 3.174 -14.354 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -1.210 4.084 -15.800 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -2.574 4.722 -12.697 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 -1.767 2.257 0.166 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -7.976 -21.201 -14.435 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -14.234 40.249 -8.968 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 4.825 -2.314 -0.091 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 5.254 18.500 -2.684 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 -30.585 -44.617 22.645 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 -6.311 2.141 -4.721 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 -5.673 -1.492 0.171 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 0.914 -8.729 -3.452 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -4.575 -0.246 2.170 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -11.310 -2.838 1.685 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -2.075 2.605 0.218 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 -2.219 7.919 0.017 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 23.210 -10.663 -11.473 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 22.266 7.235 -8.226 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -2.244 0.406 -3.481 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -13.060 6.133 -2.418 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 3.509 -7.549 -13.916 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 -1.258 0.071 -1.746 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 4.937 -7.012 -0.121 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 6.073 -11.969 -0.766 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -2.016 2.560 0.195 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 5.451 -11.595 -0.594 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 0.679 -2.379 2.457 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 -1.878 4.898 1.876 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 23.605 10.190 14.821 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -8.355 -24.944 2.093 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 -5.967 -1.480 -7.481 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 -9.540 -10.717 -2.940 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -8.965 -1.910 -17.416 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 4.519 -3.790 -2.126 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -0.461 -25.963 2.174 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 -13.018 -9.509 2.169 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -0.365 -5.228 1.417 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 7.741 -16.033 14.708 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -14.661 9.599 -1.047 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 0.073 -1.140 -7.995 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 0.617 -4.943 -4.725 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 -17.072 13.104 7.916 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -3.309 -3.063 2.638 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 -0.518 34.366 -6.012 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 36.436 2.633 10.006 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 2.733 -3.037 0.710 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -5.140 12.806 1.606 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 4.220 2.204 -16.623 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 -1.336 4.365 -3.854 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -5.942 13.917 3.164 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 -3.670 11.891 1.747 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 -2.807 2.738 -0.411 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 2.474 1.521 8.681 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -1.078 11.617 19.311 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 5.196 0.633 -5.761 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 24.661 1.521 12.553 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 0.537 -5.892 -14.201 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -1.927 -3.898 3.756 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -8.888 4.107 -3.302 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -2.887 -2.052 1.253 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 -6.657 -2.362 1.070 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 -10.579 -0.042 -5.383 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -3.285 -0.744 -1.194 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -4.883 -7.795 -5.216 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -7.299 -3.566 -13.278 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -3.298 -1.627 -20.941 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 -2.121 -0.347 1.352 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 -1.492 0.677 7.349 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 -3.222 -2.598 -1.436 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 -0.798 5.476 -2.166 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 8.573 7.023 -11.189 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 2.065 11.014 0.990 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 0.899 3.386 1.979 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 5.682 -9.199 -6.033 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 8.279 7.710 1.017 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 2.804 9.069 4.697 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 1.196 10.821 -10.472 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -21.641 9.874 7.702 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 -5.230 -0.586 -2.461 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 23.911 -28.446 -8.443 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 3.152 -5.225 18.443 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 -4.407 -4.383 8.663 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 -0.300 6.149 -5.711 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 0.562 -0.589 -0.868 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 2.312 4.562 4.116 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 -4.230 5.682 0.890 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 6.890 3.392 2.413 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 0.045 4.373 -7.000 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 3.606 3.739 13.116 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -2.825 -3.663 -2.476 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 3.647 -6.152 6.589 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 4.226 15.124 6.362 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 11.457 -0.958 -4.277 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 0.077 -1.631 5.713 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 11.788 -19.928 16.024 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 -13.410 7.963 0.868 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 0.805 1.758 -1.092 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 -7.204 3.463 -18.819 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 0.348 -12.338 -3.569 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -5.125 0.861 1.708 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -13.979 3.358 4.952 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 4.085 -0.357 -1.830 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -1.938 0.304 0.231 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -1.637 -1.596 -1.928 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -15.739 1.066 3.651 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 0.369 0.072 5.246 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 -21.041 5.907 -9.879 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 23.534 -14.019 4.990 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 -2.972 -4.133 5.148 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 0.425 2.956 21.624 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 1.178 -6.309 3.158 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -1.693 -6.842 3.627 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -14.355 28.715 23.569 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 1.973 -12.563 22.611 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -4.561 -0.179 2.617 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -10.655 -16.901 -21.883 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -7.005 -9.745 -15.899 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 1.276 6.056 -0.094 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 -6.722 0.502 7.068 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 10.443 12.798 -16.301 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -0.131 -0.728 -0.061 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -3.444 -20.853 7.709 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -1.246 -9.805 16.918 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 2.675 3.357 5.987 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 17.489 13.265 13.407 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 -17.688 7.814 -8.603 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 -1.421 -0.750 -3.841 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 5.145 -6.612 4.526 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 2.418 -3.890 -0.271 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 6.233 -1.829 -2.465 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -2.885 -2.669 -6.961 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 6.811 8.207 -3.161 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -2.635 4.518 -0.270 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 3.189 0.187 7.509 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 7.687 1.825 7.838 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 1.321 8.366 -0.629 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 11.488 -35.761 -2.168 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 0.503 6.550 8.373 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 0.727 -3.756 -0.639 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 2.193 -2.341 23.940 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 19.951 8.698 -41.120 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 8.691 -5.473 1.846 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -3.875 13.458 -2.748 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 -3.889 -16.592 2.592 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 -1.571 -0.804 5.974 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 -3.455 31.105 6.924 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -3.774 23.883 -3.101 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 -0.753 7.623 0.645 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 10.876 19.357 -7.652 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 5.924 7.981 5.521 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 -0.370 -4.429 -3.369 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 0.533 -6.283 -12.841 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -7.950 -6.294 -11.130 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 3.907 5.944 3.342 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 6.325 7.413 2.265 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -1.332 3.088 6.466 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -2.603 5.208 7.154 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -7.933 5.987 -11.825 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 1.099 7.788 12.708 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 6.194 -5.382 -3.149 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 6.496 -3.173 -2.216 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 11.486 -30.296 0.540 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 2.346 -0.620 4.149 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 3.686 -2.358 -17.633 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 2.813 -0.720 -5.480 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 5.109 -6.162 4.660 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -4.259 -3.157 2.642 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 5.419 -9.499 9.291 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 -0.580 -0.648 -0.015 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -5.496 0.920 -4.525 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 -4.649 3.134 4.916 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 0.967 0.514 3.524 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 -1.178 -19.615 23.807 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 10.196 12.131 7.551 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -3.887 -3.131 5.128 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 0.297 5.802 -12.955 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -2.205 -16.747 15.968 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -3.110 0.560 2.402 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 -7.901 -8.876 1.512 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 -13.721 -8.049 -4.161 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 2.983 1.602 2.096 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 6.857 15.546 -0.626 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -4.348 -15.047 3.622 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 0.722 3.056 0.952 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -7.382 -22.001 4.541 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -4.538 -5.170 -10.473 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 0.430 -9.318 -2.522 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -4.077 -10.470 -18.340 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 9.627 -12.012 -7.705 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 2.490 -1.118 2.653 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 16.075 6.896 10.265 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 -2.765 4.926 -11.841 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 4.276 1.246 -2.772 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 40.495 14.164 -6.025 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 14.673 -8.558 16.588 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -2.632 -6.292 -0.331 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 22.458 -2.455 -6.127 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -11.275 2.698 -4.389 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 12.201 -3.673 -1.724 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 -12.586 -0.017 37.617 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 4.013 -2.841 11.530 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 0.020 2.409 2.878 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -4.491 -3.722 0.930 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 2.627 -1.355 4.388 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 0.120 4.730 -0.759 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 2.316 7.609 -1.823 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 4.141 -18.454 14.278 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -2.863 0.490 0.280 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 -38.272 -25.658 16.038 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 13.245 -2.406 -10.917 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -3.111 -2.286 -3.634 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 -16.653 22.787 -10.963 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 17.110 29.543 11.630 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -0.174 4.382 -6.564 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 6.330 23.517 0.173 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 -10.832 -7.560 2.070 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 -7.180 1.769 -3.973 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -14.635 10.761 -11.198 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 -18.172 -3.827 10.752 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 4.081 -0.203 -2.888 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 7.128 0.524 -3.717 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -33.347 -19.376 19.176 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 3.109 3.073 2.709 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 17.951 -22.024 -0.552 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 18.294 5.170 4.105 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 2.324 0.487 4.320 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 20.907 0.403 1.921 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 6.102 -15.406 0.488 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 1.200 -4.984 2.919 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 -0.282 5.197 6.160 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 -8.419 -0.413 7.476 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 -0.791 -2.230 -1.103 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -2.519 13.465 6.334 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 7.338 -1.914 -19.142 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 0.233 4.265 4.552 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 12.867 33.612 2.500 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -15.449 10.461 -19.796 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 0.238 5.256 -1.024 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -0.389 -2.198 -3.683 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 0.662 12.162 -1.937 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 -2.439 4.825 5.442 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 2.683 -15.630 -20.268 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 -29.629 5.067 2.883 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -1.860 2.488 4.947 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -28.344 5.555 -8.245 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 13.508 0.959 13.637 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -6.493 5.182 -7.643 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 4.446 20.162 5.260 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 20.173 -5.609 -13.045 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 0.794 -5.536 -4.833 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 14.157 -10.742 -8.484 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 16.104 16.105 6.354 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 5.885 -5.074 2.232 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -5.214 2.614 1.207 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -7.837 -3.196 -6.202 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 -2.810 7.113 2.172 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 32.848 4.405 5.102 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 9.659 5.403 7.727 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -5.418 1.001 2.977 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 11.195 -18.461 2.112 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 5.048 7.545 -2.632 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 -3.918 -1.969 0.286 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 4.126 16.242 8.757 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 12.986 -6.296 1.698 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 2.925 -3.451 3.395 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -1.687 29.126 -0.237 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -20.941 -21.558 -2.160 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 3.656 -0.192 -5.623 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 -0.598 -2.075 -8.443 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 7.036 -1.731 -5.916 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 0.196 -3.589 13.538 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 0.814 -3.507 -1.182 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 -10.792 5.621 14.455 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 3.385 -2.542 -3.441 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 14.164 5.898 -8.714 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 7.808 5.135 -10.596 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 1.721 -1.964 1.442 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 2.588 2.280 -3.341 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -24.642 14.555 20.882 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -0.341 -3.294 -5.334 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 1.611 17.276 5.881 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 8.697 -13.470 36.143 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 5.578 2.401 2.933 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 -22.148 -3.854 -16.539 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 11.213 -5.270 2.575 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 5.209 -9.985 -5.135 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 2.237 -8.277 6.137 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 13.308 -7.979 -5.404 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 -1.664 -3.158 0.566 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -17.249 10.081 12.351 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 -8.904 32.683 -18.358 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 -0.161 -2.713 -1.570 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 10.325 -3.725 3.197 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 -12.515 -7.732 3.925 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 -3.086 4.962 -3.210 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 -36.238 6.226 -5.518 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 23.883 -4.630 5.904 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 3.578 -0.611 -6.401 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 3.521 -4.093 -4.488 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -6.335 3.774 -10.498 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 4.779 4.400 0.681 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 0.963 10.294 -1.180 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 1.378 2.360 -5.064 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -4.097 1.079 0.298 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 -3.287 -1.518 -2.726 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 6.433 11.365 17.502 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 -4.927 -6.436 2.401 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 -9.610 6.403 3.878 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 5.870 -8.090 9.166 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 -0.420 -3.504 -3.097 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -2.892 -4.130 -3.597 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 28.561 22.289 2.364 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -1.128 -0.882 2.753 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -8.159 12.345 -10.634 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 10.410 -14.116 -20.038 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 7.743 1.000 4.074 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 2.188 -2.829 4.237 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 7.380 4.966 8.497 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 -4.966 -0.551 0.700 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 1.587 7.445 6.712 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -16.171 -18.778 -3.186 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 2.854 -0.176 -0.588 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 -13.622 -11.494 -13.209 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 -7.298 -14.718 14.283 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 4.561 2.596 1.969 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 5.924 8.025 -6.380 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 -12.907 7.082 -8.317 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 5.957 1.149 4.935 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 18.908 -5.264 21.444 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -8.703 -12.344 -31.764 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -9.303 -2.055 -6.317 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -9.182 -7.838 -8.531 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 7.878 0.142 4.223 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 0.068 -0.098 -7.372 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 1.476 -7.569 6.109 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -2.213 -17.417 15.187 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 -5.685 0.170 -2.961 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 -25.175 3.427 -17.062 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 5.372 -22.039 -9.393 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -3.158 1.756 -2.859 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -7.259 -2.804 15.147 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 1.012 19.178 -1.005 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 0.996 2.289 2.178 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 4.502 1.325 4.502 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 -2.235 3.645 -6.555 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 -4.364 -6.423 -4.533 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 -2.503 0.560 -8.187 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 6.247 -8.866 -2.339 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 6.568 5.111 1.771 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 16.549 0.119 12.840 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 -11.256 -9.415 -14.018 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 9.575 -4.472 -4.330 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 13.879 4.427 7.949 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 9.371 -3.774 -3.155 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 1.682 0.664 -4.987 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 0.188 -9.280 11.198 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 10.326 19.852 0.585 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 -2.609 1.361 -3.068 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 -5.254 11.541 13.457 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 14.015 9.656 -8.789 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 2.750 0.895 3.038 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 3.821 -14.803 10.856 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -0.941 -1.330 -5.747 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 0.934 2.886 -0.556 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 26.031 3.903 9.938 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -20.465 10.730 7.084 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 0.828 7.535 -3.011 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -2.824 7.300 -8.967 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -1.300 21.852 5.936 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 0.215 -4.692 1.044 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 6.773 -3.898 -1.778 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -20.667 -6.596 6.891 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -0.740 0.070 2.783 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -3.114 -17.602 1.551 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 13.075 3.234 5.337 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 -1.171 4.154 0.938 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 6.584 -11.032 1.141 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 6.541 14.066 7.515 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -1.464 5.041 -3.481 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 -12.737 -3.413 -14.295 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 0.614 8.559 -1.464 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 4.867 2.175 -5.242 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 9.248 -4.568 7.093 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 14.508 -3.112 -3.899 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 2.011 2.786 -0.405 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 0.824 -5.309 6.261 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 -3.404 -3.160 -0.895 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -6.474 -6.386 -3.653 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 5.466 18.351 5.027 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -7.353 13.328 8.903 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -3.731 -1.521 -0.685 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -5.141 0.944 -2.193 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 -1.259 -6.458 7.692 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 3.183 2.151 -3.367 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 25.842 -6.245 12.755 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 6.155 10.506 -17.954 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -4.603 -6.717 -2.781 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 2.806 6.941 7.665 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 8.636 4.714 -13.777 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 4.150 1.246 -2.721 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 12.953 10.764 -3.846 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -17.831 -7.665 2.017 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 4.556 2.173 3.402 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 -11.061 -19.955 -2.353 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 0.303 -1.324 1.923 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 0.069 3.246 -1.445 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 -12.401 10.888 -30.368 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 -24.064 30.821 5.885 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 0.476 6.301 4.146 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -7.728 -3.902 -6.717 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 13.182 -3.763 12.309 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -3.416 -2.502 -3.492 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 0.663 -13.512 -1.483 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 3.268 -11.447 -9.559 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 2.454 7.294 2.628 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 3.087 24.971 5.302 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 9.672 0.879 -11.622 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 0.053 -2.067 4.506 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 11.987 -3.871 11.055 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -30.928 -11.248 6.217 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 3.214 -3.578 9.707 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 -17.906 17.032 14.663 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -4.647 -10.760 32.731 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 -7.081 -0.871 3.017 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 20.424 -4.179 6.234 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 -5.468 -3.859 3.852 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 -3.951 -2.562 -1.526 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 -4.549 -4.287 -1.192 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 -6.860 -4.064 4.109 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 0.512 -0.646 -1.663 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 0.539 -0.277 -3.140 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 15.873 -2.341 -7.661 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -3.367 1.402 6.487 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 -1.117 -13.003 8.548 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 4.790 -30.449 4.799 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 -7.120 0.622 -2.995 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 5.134 2.085 -10.087 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 33.755 20.079 -3.957 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -4.136 -2.255 -7.502 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -18.525 -30.449 -13.164 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 4.858 22.279 9.994 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 9.087 -7.490 3.906 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 -5.235 -14.731 1.849 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 15.750 -4.862 -13.883 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 0.779 -5.215 3.493 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 6.425 10.141 6.973 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 4.059 13.308 11.233 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 -0.683 1.149 -0.527 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -10.888 25.881 4.169 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -8.575 8.464 -8.982 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 -1.872 -4.643 -3.782 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 -7.574 -3.359 0.548 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 4.691 1.287 -5.109 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 1.596 -0.887 0.505 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 12.695 1.057 3.041 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 -8.077 7.135 -0.605 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -1.877 0.907 3.135 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -10.089 -20.308 3.139 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 3.952 -7.358 -8.891 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 2.653 0.083 -5.963 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 6.004 2.439 -9.268 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 -1.369 7.554 -7.595 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -4.592 -0.539 1.883 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 -7.952 -7.044 -5.692 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 11.118 2.533 -18.751 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -3.978 2.660 -0.037 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -0.105 7.338 4.525 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -12.956 4.055 -1.871 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 5.501 2.110 -3.503 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 0.611 -9.855 -6.514 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 -2.067 11.461 -2.719 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 8.560 -0.460 4.606 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 -4.832 1.218 17.501 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 9.870 -14.273 0.727 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 1.636 0.416 0.916 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -7.723 2.227 5.849 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 -5.768 19.123 2.352 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 1.513 5.120 -6.796 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 -0.912 -4.743 -13.014 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 5.924 3.073 -4.769 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 4.266 -1.381 2.702 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 -0.997 13.399 0.496 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 -6.363 -0.934 8.229 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 1.941 -0.090 0.573 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 -5.032 -16.704 -2.116 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 7.121 -3.230 16.146 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -3.001 0.280 -3.434 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -34.875 -13.135 -11.207 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -4.717 12.723 31.146 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 2.144 10.347 -5.096 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -13.615 -4.817 -8.664 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 5.839 9.467 -5.370 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 -4.668 -2.411 1.659 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 5.441 5.515 -9.830 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 -11.581 -0.976 -3.601 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 -5.470 3.770 1.215 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 -0.088 1.320 0.575 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 1.430 3.746 0.127 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 0.351 -5.419 -1.136 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 12.530 -17.431 -8.141 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 26.251 18.977 6.063 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -0.298 -1.402 -1.736 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 -0.999 3.903 -3.870 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 5.385 2.058 1.039 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 5.149 1.125 6.415 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 -11.244 -5.911 -11.982 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 23.123 -10.083 20.843 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 1.810 -1.919 3.553 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 -0.336 -4.972 -5.547 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 0.892 -2.113 7.023 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 -1.687 4.603 -0.072 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 11.198 0.098 15.299 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 27.509 1.034 30.637 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 -4.094 -0.240 6.974 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -1.845 -7.968 12.154 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -7.882 22.420 -0.327 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 6.952 5.304 -0.257 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 17.823 0.185 -0.976 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -9.284 -1.156 22.409 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 5.196 -4.908 1.511 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 5.426 5.248 1.676 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -2.638 2.825 4.398 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -0.123 -1.798 -0.180 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 3.452 3.396 0.254 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 -0.812 -3.654 2.520 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 0.191 -0.379 1.073 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -7.147 1.440 0.892 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -8.477 -3.681 -8.272 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 4.863 -3.474 -6.869 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 19.666 -9.432 14.807 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 14.747 -20.055 24.845 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -1.279 -0.988 5.203 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 -13.848 -8.944 -7.735 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 -4.579 17.937 -3.541 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 2.204 -4.891 6.067 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -0.605 -0.989 10.657 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -2.008 -5.468 2.040 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 4.001 -1.976 2.964 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 5.462 -15.271 -9.620 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 12.502 -3.423 11.244 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 -8.060 8.565 4.212 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -5.976 3.856 10.893 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 -2.364 6.671 14.935 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -3.322 0.586 -1.702 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 -6.468 3.760 -2.848 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 0.219 2.795 -2.596 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 0.727 -1.026 3.772 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 12.462 7.342 9.600 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -38.881 -19.876 -0.092 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 7.928 -2.779 -6.591 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 10.380 7.820 -1.020 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 7.983 5.377 3.903 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 5.420 4.633 -2.757 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 10.814 -3.882 6.323 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 31.648 2.867 17.223 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 3.853 2.615 1.784 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 -3.313 -8.841 17.135 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 -18.640 -17.983 -1.861 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -0.975 3.892 5.974 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 -11.575 10.460 -26.085 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -22.894 -16.551 19.242 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -0.383 1.017 1.727 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -15.611 -1.031 -2.814 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 9.333 -7.448 21.435 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 2.245 0.084 -3.047 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 7.280 -19.257 4.184 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 5.775 14.662 -13.040 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 7.071 -0.470 3.586 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 11.986 12.257 0.257 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 15.071 21.065 -1.587 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 -4.085 6.130 5.070 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 7.016 16.093 15.901 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 -13.747 11.376 9.319 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 -7.846 0.173 5.510 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -0.859 20.606 20.692 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -3.699 -0.648 -12.118 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -3.056 -1.672 -3.757 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 -2.027 -12.667 3.048 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 17.737 -13.023 -3.649 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -0.449 0.141 4.274 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -3.054 -6.960 -7.861 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 18.503 1.985 5.364 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 -6.324 2.630 3.847 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 9.432 9.472 2.041 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 13.447 3.751 15.570 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 0.842 2.416 -3.426 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 19.432 -11.944 1.030 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 8.046 -9.807 7.660 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 -0.558 -1.350 -3.961 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 8.000 18.921 -21.667 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 17.861 4.205 5.664 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -4.339 2.483 -2.174 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 26.556 -8.825 -0.019 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 14.777 -5.135 13.091 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 -3.920 -0.756 2.001 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 -15.049 10.661 11.355 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -1.269 -27.941 2.178 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 8.011 -3.147 3.586 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 10.636 5.735 4.781 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 1.508 -5.356 -0.415 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 5.982 -0.899 -3.126 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 7.104 -7.086 -2.009 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 -1.720 0.101 -4.496 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 1.700 -4.608 -4.443 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 13.320 -8.743 -15.768 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 11.679 -2.042 5.794 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 3.450 5.507 -0.278 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 -6.880 13.236 10.221 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -1.225 9.295 4.757 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -3.481 2.765 3.381 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 5.834 -6.603 10.095 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -23.609 10.389 -4.285 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 7.096 0.496 -1.189 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 26.191 -13.239 6.971 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 -10.277 -11.774 9.282 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 2.405 1.112 4.088 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 8.347 0.049 10.797 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -0.646 5.052 6.804 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 2.975 5.171 0.411 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -15.539 20.737 23.084 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 7.517 21.379 7.871 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -4.957 1.303 2.240 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -16.381 7.383 16.633 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -9.166 0.388 5.638 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 1.862 -4.723 2.920 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 14.350 0.144 -8.025 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -15.518 0.622 -10.644 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 0.936 2.068 -2.406 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 -4.748 -41.667 5.664 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 8.953 3.356 -25.724 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 4.964 1.576 2.580 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -4.985 -6.515 8.344 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 24.263 -4.845 12.024 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 1.893 -0.091 -1.912 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 33.718 -16.335 2.369 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 0.310 22.617 0.444 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -6.907 0.587 -4.636 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 9.038 5.898 -12.207 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 -9.055 1.304 -7.511 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 5.798 2.077 2.499 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 18.993 -7.410 13.760 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 9.235 -0.559 3.920 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 2.023 -3.296 -1.104 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -15.740 9.965 -11.097 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -3.033 6.640 -3.435 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 -3.858 -0.038 1.626 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 11.405 8.757 -12.328 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 3.877 3.636 14.281 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 4.347 -1.436 2.935 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -2.225 16.754 -6.939 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -8.378 -3.383 11.948 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -3.873 0.596 3.000 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -4.498 2.376 7.318 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -5.070 6.357 14.962 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 5.673 2.704 -2.801 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 3.882 3.079 -2.256 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 -2.734 13.057 21.716 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 -1.513 4.308 3.144 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 0.203 -9.799 -4.871 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 6.357 -23.357 -8.771 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 5.871 -5.077 4.623 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 -12.954 0.781 1.812 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 7.247 -2.103 2.564 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 1.145 0.490 -3.310 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 -17.371 -13.693 16.159 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 -8.346 -11.330 -34.339 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 -0.840 -4.264 2.256 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 3.974 0.034 1.460 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 9.149 2.909 5.094 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 4.650 -1.395 -0.711 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 -13.884 -7.311 16.491 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 -0.705 -18.111 -18.989 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 6.111 3.917 -2.745 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 5.087 15.095 0.343 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 6.535 -0.060 -4.203 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 2.644 -4.913 -3.153 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 20.663 -13.930 -0.537 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -13.969 -11.902 -12.774 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 5.764 -4.488 -1.313 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -9.297 -15.903 -9.944 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 7.368 -4.196 -3.099 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -0.639 0.415 4.226 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -22.281 14.423 -10.574 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 17.554 20.933 -8.360 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 6.396 4.044 4.007 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 1.766 3.804 -5.672 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 -1.071 6.547 1.266 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 6.193 -3.280 0.596 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 -2.995 -12.001 2.166 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 16.542 -10.874 2.112 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 -6.728 -1.802 -0.703 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 -30.187 -4.045 4.503 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 -14.169 -6.253 -3.293 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 3.458 1.583 -1.359 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 4.452 -4.526 -9.240 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 12.168 -0.578 3.669 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 -3.536 3.199 -1.272 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 -0.459 -7.140 11.070 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 0.425 11.810 -1.884 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -5.199 6.175 -1.913 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 6.723 -9.243 2.666 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 10.075 -14.025 -3.208 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -6.585 -0.776 -1.998 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 -4.518 -22.227 -10.060 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 -12.030 -8.738 14.481 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 -2.980 7.124 0.934 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 9.297 4.352 -0.686 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 -2.397 -1.095 11.094 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 0.319 -0.462 0.125 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 -6.747 13.476 -5.765 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 20.513 1.446 1.514 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 3.114 -0.238 -0.599 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -24.320 -13.689 -11.330 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 -18.046 3.238 -6.196 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -1.172 2.007 1.658 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 -5.533 -11.292 0.567 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -5.609 -16.539 10.085 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -0.796 -4.564 -1.280 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -37.836 -3.104 0.482 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -12.127 -3.233 0.272 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 1.764 5.028 2.610 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 5.959 5.224 19.410 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 6.478 -15.636 -14.393 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -4.083 0.900 3.412 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 -16.855 -7.510 11.973 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -29.304 -12.492 8.208 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 -1.277 -3.249 6.976 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 9.287 1.219 -7.600 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 -21.518 9.618 15.640 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -2.860 -0.078 5.333 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 1.827 -6.128 6.626 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 -1.946 0.414 -2.651 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 0.036 -4.565 -4.914 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -5.610 -0.517 -5.323 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 7.153 -6.926 -4.561 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 0.232 1.395 6.640 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -0.042 9.896 -13.520 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 -7.336 -11.916 4.909 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -1.769 1.746 0.146 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 -9.212 7.613 17.272 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 -10.092 -37.134 -6.215 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 9.168 7.734 4.548 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 23.001 -3.096 1.035 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 6.910 9.869 -6.551 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 1.703 0.065 2.330 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 -24.300 0.980 3.283 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 8.536 -6.825 7.862 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 1.490 3.894 2.092 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -6.579 -2.637 16.868 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -3.526 4.326 9.756 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 0.344 -3.919 -3.820 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 8.531 -8.695 -0.837 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 -5.931 -1.963 4.241 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -0.336 0.510 10.259 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 15.655 19.831 -13.212 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -1.627 -5.167 10.236 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 3.948 -0.654 2.431 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 7.141 0.564 6.346 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 10.932 -1.978 6.819 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -5.758 0.532 -0.278 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 1.075 -4.560 4.456 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 -22.406 15.675 -17.098 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -4.904 1.852 -1.799 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -12.038 9.059 6.400 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 6.006 -3.448 -5.691 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 7.504 -3.468 2.671 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -16.446 -5.355 -10.573 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -2.506 5.815 1.331 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -5.941 7.950 -3.874 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 1.036 5.047 -3.663 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 9.775 8.626 -2.128 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 2.611 -5.355 -2.100 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 -3.249 15.543 15.129 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -13.734 -7.874 28.130 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 1.103 0.551 -2.420 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 -7.176 -1.290 -4.934 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 2.850 9.824 -2.050 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 3.768 -1.014 8.946 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -4.853 -9.279 6.707 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 6.020 7.638 10.648 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 -4.709 2.738 2.739 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 1.152 -0.004 1.037 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 -19.741 1.528 1.758 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 2.776 -0.451 -2.655 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 1.095 1.555 -13.912 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -22.698 13.565 11.167 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 -2.493 -9.515 2.258 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -17.818 6.505 3.528 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 10.658 -9.114 23.029 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 6.071 -1.396 -1.737 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 6.356 -22.685 10.904 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 -13.901 2.937 -3.030 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 0.006 6.700 -2.653 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -0.621 7.490 -1.751 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -3.678 5.988 2.300 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 1.306 4.935 -0.978 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 -10.457 5.480 -25.368 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 12.323 11.588 -3.303 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -1.322 -6.146 2.986 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -14.834 11.073 -5.424 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 -22.428 12.060 -11.336 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 -0.943 -3.394 3.060 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 -10.927 -2.655 -1.120 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 10.206 -26.594 -0.212 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 -5.951 -3.602 7.184 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -0.867 -7.485 8.184 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 -9.429 -3.923 12.596 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 -6.547 0.580 1.021 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 -2.382 0.381 5.493 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 4.405 9.252 17.866 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 1.827 -6.424 0.161 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 -2.080 -15.508 -1.329 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -2.127 13.474 1.021 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 2.173 3.098 -0.071 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 4.375 -10.236 -10.241 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 6.547 11.194 -19.914 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 5.435 -3.271 3.502 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 35.137 3.347 -13.050 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -16.759 -21.003 17.590 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 2.349 -0.683 8.705 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 8.219 -5.947 0.925 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -4.521 -1.636 7.876 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 -3.007 0.091 1.288 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 4.388 -1.300 -10.582 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -33.729 5.736 12.959 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -1.064 0.149 -3.166 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -5.975 2.432 -0.488 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 7.222 11.262 -3.156 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 8.548 -8.769 0.322 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 6.318 -8.740 -1.950 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 5.650 -8.759 -0.109 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 2.726 -2.650 1.167 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 9.020 4.796 1.057 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -0.522 -4.911 -1.756 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 3.158 6.026 2.089 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 18.223 -20.241 -11.117 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 15.446 -14.428 -9.221 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 0.442 1.207 3.627 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 0.826 1.081 -6.032 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -7.530 -1.267 8.741 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 5.607 1.213 1.435 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -13.141 5.331 -5.086 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -10.318 9.123 -1.680 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 -2.047 2.622 3.147 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 -15.215 3.616 -8.765 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 15.320 -15.363 14.228 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 -1.296 3.815 0.248 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 2.857 5.687 -4.438 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 1.188 7.370 5.582 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 6.444 -4.837 -2.981 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -1.650 -18.741 21.386 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 7.530 -4.443 4.023 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 3.524 -5.101 -5.363 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 4.437 -2.576 1.029 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 12.489 -9.843 0.863 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 -0.446 3.781 -4.532 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 5.436 -2.570 -0.988 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -2.116 0.406 -12.846 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 -7.900 3.816 -0.315 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 -43.643 -3.807 -11.382 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 13.582 11.739 2.663 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 0.050 -1.790 -2.418 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 -20.949 2.223 -2.589 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 10.797 12.629 -7.980 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 -5.369 2.063 -9.334 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -14.162 -4.027 -9.087 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 -0.875 -0.065 -14.151 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 0.550 0.819 -0.936 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -18.378 -3.061 -0.968 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 1.548 -3.876 11.527 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 -8.959 3.550 -2.807 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 -25.468 6.419 0.671 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -34.723 -15.873 10.369 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -2.513 -1.646 1.480 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 0.966 -10.728 4.900 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 0.341 -6.779 4.216 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -2.520 0.052 5.012 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -17.534 6.697 -6.851 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 1.992 -14.589 -2.467 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -0.810 -3.524 -1.473 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 -5.917 -9.668 4.779 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 0.084 -1.991 2.303 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -0.153 -3.164 -5.254 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -0.864 2.088 -14.002 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 7.472 10.487 -4.338 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -7.243 6.796 7.483 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 -11.810 -10.930 -20.584 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 -11.728 3.764 18.707 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -0.265 2.159 -3.257 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -12.110 -7.845 -5.808 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -23.492 -18.713 -8.725 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 1.137 -6.083 -1.632 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 19.143 -1.812 -5.105 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 0.078 12.392 -0.305 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 2.015 -3.540 -0.669 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 26.369 6.868 -0.326 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -18.517 -12.079 5.181 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -3.699 4.096 1.628 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 0.270 8.412 0.690 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 8.742 17.344 -18.043 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 3.249 5.124 -1.509 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 7.262 6.839 3.997 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 8.140 11.388 -6.977 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 3.367 -0.541 2.460 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 -7.405 4.485 7.713 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 10.896 25.102 -10.113 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -2.259 -1.129 -7.512 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -7.167 -8.426 29.435 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 8.876 0.136 -3.769 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 4.840 -0.362 -6.145 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 1.833 2.546 -10.074 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 9.367 -2.205 -11.617 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 -7.972 5.205 -0.719 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -16.276 24.311 -2.875 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -26.084 -7.422 -1.110 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 4.115 0.512 0.613 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 5.064 7.785 3.305 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 13.343 -7.009 -9.530 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 0.463 -3.961 3.130 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 9.884 2.232 -7.908 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -4.961 -1.137 2.132 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -0.613 5.400 -0.553 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -4.621 -1.296 -20.278 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -16.547 11.159 8.483 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 -2.506 -1.789 -4.949 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 -8.020 15.401 -29.826 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 9.688 -0.555 17.160 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 0.185 -1.328 -1.192 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 19.417 0.576 6.337 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 -14.531 -2.861 -0.694 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -0.990 -0.091 8.102 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 15.031 14.715 9.442 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 12.102 7.399 11.397 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 -1.292 5.668 -2.953 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 6.666 8.378 -0.415 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 -6.797 9.102 2.297 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 -2.568 5.450 -0.183 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -24.320 16.908 -7.314 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 0.490 3.707 -0.101 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 4.297 -3.492 0.116 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 -8.396 8.807 -29.154 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 2.728 -5.363 -9.911 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 -2.119 2.585 4.123 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -10.930 1.048 -14.950 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 14.549 17.042 8.703 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 -0.214 1.593 2.826 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 24.801 5.022 -14.184 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -1.119 -20.977 17.445 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -1.635 -4.878 0.590 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -3.798 -14.666 -1.729 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 2.259 7.768 -13.814 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 2.445 5.187 -0.594 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 -10.537 1.565 -20.064 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 -10.849 -0.179 -13.393 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 -1.177 -4.901 -2.296 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 2.226 -12.457 6.965 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 -3.729 -1.702 -7.724 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 -1.597 1.868 -6.691 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 -13.984 -24.655 6.393 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -10.807 -15.008 -13.013 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 -6.587 0.311 -1.738 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 1.727 -11.393 -4.065 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 2.103 -10.024 -8.577 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -2.263 -1.169 -2.992 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 0.640 -0.197 -9.245 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 -16.009 -12.935 1.114 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 3.719 6.544 5.707 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 0.149 1.222 8.065 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 5.929 8.989 2.675 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -0.653 1.202 -2.226 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 20.362 -11.030 -1.218 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 -0.457 14.775 -42.451 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 -0.806 -0.339 6.508 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 19.348 35.575 -12.571 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 -14.420 -23.448 11.374 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 -1.571 5.603 1.973 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 -0.798 2.083 -16.392 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 -8.671 8.963 23.724 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -4.116 -1.635 -1.679 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 2.673 -3.078 -1.881 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -0.077 -4.865 -5.414 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 -2.086 -3.487 5.622 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 -4.223 -19.092 -4.263 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -6.806 9.529 26.394 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -10.533 5.301 3.248 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 16.150 8.401 24.090 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 2.923 6.682 11.416 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -6.751 0.925 5.932 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -3.693 -8.845 30.311 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 -1.767 -7.462 15.600 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 0.156 6.062 0.138 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 11.794 4.551 0.465 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 -0.461 10.888 -7.821 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 1.972 -8.259 -8.320 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 3.433 -16.461 -1.015 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 2.046 2.947 -6.359 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 -0.157 5.484 3.132 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 10.525 -15.554 28.645 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 -2.407 6.750 -1.591 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 0.849 -2.740 6.993 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 1.888 -5.157 8.066 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 0.065 -7.796 10.478 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 0.068 -4.236 -3.727 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 15.451 3.455 9.693 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 8.656 18.013 0.135 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 0.128 1.258 -1.160 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 1.540 -0.946 6.518 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 5.644 6.587 3.500 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -1.761 -3.772 -0.692 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 10.760 6.292 -7.846 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 20.487 9.617 -13.106 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -0.335 -3.587 0.872 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 11.257 4.951 -0.024 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -6.656 -1.514 14.046 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 2.950 -6.619 4.158 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 -7.191 -6.526 15.819 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 4.699 5.808 -0.327 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 3.693 -7.144 1.207 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 13.733 -1.291 18.988 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 -19.331 -11.642 -1.625 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 4.842 9.174 1.879 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -16.303 2.961 -0.761 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -7.398 -9.365 -3.054 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 -2.705 0.153 -2.782 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 -6.095 18.400 -1.887 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 10.080 3.155 -7.114 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 1.649 -0.157 -4.612 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 11.643 -9.019 -5.940 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 1.623 7.628 -14.722 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -1.526 2.878 -6.484 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 4.245 -8.453 1.181 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 12.423 0.519 -13.264 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 -2.976 1.257 -3.251 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 3.612 9.517 4.514 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 2.887 -8.079 0.496 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -2.298 -0.869 2.155 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 2.745 -1.983 0.080 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 -11.496 0.302 5.208 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 4.536 2.569 1.873 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 4.158 -1.651 4.737 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 6.574 7.316 -0.522 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 -1.123 -2.631 4.220 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 -10.404 1.031 10.051 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 6.140 -7.908 17.137 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 -0.813 2.006 -2.148 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 2.135 4.636 -3.387 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 0.642 3.190 -0.008 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -2.051 7.027 -0.032 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -7.615 6.022 -8.204 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -1.889 6.634 3.469 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 5.069 1.478 -6.646 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 11.849 6.328 -24.798 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 7.769 11.781 -6.885 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 1.837 2.327 1.363 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 -11.589 0.511 7.073 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 15.192 4.902 -2.334 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 12.401 0.170 5.441 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 2.502 0.337 -5.583 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 4.431 -1.587 -7.759 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 2.630 -1.135 -1.825 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 3.327 -4.223 1.917 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 0.567 3.800 -2.585 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 0.712 2.464 -2.501 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -8.905 -6.659 15.404 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 18.750 27.049 9.900 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 5.299 2.775 -0.728 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 -12.169 17.497 13.980 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -20.118 18.906 -8.525 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 4.399 -3.763 -6.380 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 1.415 3.218 -8.780 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 5.942 -3.058 4.013 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 7.537 -2.969 -4.778 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 9.405 4.931 -1.846 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 -12.873 20.180 31.367 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -0.851 0.858 -1.679 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 -10.915 11.805 -10.624 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 15.615 6.922 -8.100 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -7.787 -2.157 3.339 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -3.978 -48.287 4.581 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -14.424 7.509 -0.485 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 3.442 -0.025 3.167 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 -8.956 -34.184 5.263 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 -9.875 -7.800 9.497 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 -0.495 -1.227 -1.219 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -3.483 -16.461 -9.698 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 -13.765 9.914 -11.414 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -3.340 1.447 3.520 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 18.848 6.452 -0.963 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 2.961 1.318 -4.514 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 -1.371 -2.170 -3.526 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 9.947 -15.518 8.331 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -20.674 0.923 6.376 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 2.566 1.704 2.037 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 -18.777 1.531 -0.005 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 6.675 -8.631 2.033 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 -1.360 1.671 -3.684 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 -0.219 7.567 3.286 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 1.618 8.544 -6.089 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 -7.928 4.321 1.273 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -17.538 -4.919 -18.705 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 -6.921 -9.471 55.189 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 -3.154 1.781 0.398 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 -7.744 -7.756 -3.107 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -4.468 2.407 0.792 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 1.202 1.986 4.240 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 2.442 6.792 9.486 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 1.819 1.864 3.152 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 5.609 3.762 6.047 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 -8.061 -18.175 -5.326 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 30.571 2.262 -6.502 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 1.468 3.492 0.347 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 2.333 5.764 -3.483 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 4.978 -2.345 0.664 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 5.886 -1.697 5.898 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 21.394 -16.675 4.506 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 9.937 3.299 -0.366 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 0.551 6.232 -0.831 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 3.637 11.008 -14.307 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 15.509 12.918 6.442 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 1.922 0.783 0.273 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 15.795 8.852 11.137 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 -7.647 -11.973 12.891 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 -1.711 5.049 -6.156 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 -5.086 -12.839 10.656 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 15.678 15.089 -10.116 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 1.189 -0.711 8.193 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -20.664 9.089 -3.260 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 -7.697 -31.535 17.051 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -1.320 8.293 -1.595 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -45.317 -1.029 17.129 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 22.818 17.049 9.673 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 -1.117 -0.167 2.078 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 -6.965 -7.852 -16.632 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 -5.856 -9.652 2.798 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 1.413 -6.465 -1.869 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 7.543 -19.015 7.717 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -2.231 12.387 -15.995 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 -0.101 4.085 -1.232 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 5.165 1.415 -1.816 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 -0.079 6.741 -1.684 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -0.857 0.861 3.365 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -10.664 -8.859 -0.121 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 3.252 15.473 9.840 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 2.389 7.035 1.291 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 16.473 -0.130 -7.697 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 2.028 11.079 6.743 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 0.722 5.625 2.546 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 -6.413 5.944 5.400 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 1.406 28.962 -2.012 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 4.559 4.625 -5.409 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 12.670 17.664 11.759 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 -10.795 -5.123 8.801 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 4.147 -3.496 3.103 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 15.147 -9.111 -12.215 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 0.750 -1.771 -3.226 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 -2.647 -1.658 -6.753 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -9.209 -6.764 -25.075 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 -6.103 -13.282 -17.628 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 5.209 -0.778 -1.137 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 1.977 -7.169 11.207 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 1.530 -13.251 18.001 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 -2.119 -4.032 0.486 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 -6.838 6.383 4.215 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 7.547 5.527 -15.096 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 3.590 3.100 3.385 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 12.463 -18.601 -38.273 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -16.957 5.355 -13.896 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 2.447 4.252 0.810 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 20.736 -7.187 26.048 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 3.383 2.466 2.866 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 -6.274 0.486 -0.557 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 8.416 6.809 -11.940 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -4.584 -7.449 0.130 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 1.959 -5.832 -1.729 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 -0.580 5.351 -8.319 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 12.437 3.847 7.639 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -4.766 7.495 -8.295 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 -2.131 -3.279 -10.200 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 18.727 -4.141 -8.086 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 1.888 3.347 -2.971 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 5.455 6.515 -5.619 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 3.035 -1.436 -6.535 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 0.836 -1.253 -1.281 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 4.132 -2.607 -8.709 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 -1.667 2.078 9.515 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 -1.813 -0.366 3.715 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 0.332 27.653 9.626 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 -3.389 -20.415 -22.190 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -3.340 1.233 7.283 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 14.665 -35.928 -14.072 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 6.032 -21.047 4.297 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 1.882 -2.344 3.548 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 -11.030 11.460 -9.506 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -2.875 -9.427 7.046 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 3.525 -0.435 1.714 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 -3.060 2.139 1.821 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 5.195 -1.971 12.304 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 2.776 3.082 4.721 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 12.983 -5.726 10.197 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 2.553 5.239 -18.583 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 11.901 4.960 7.638 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 7.099 8.999 11.626 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 11.324 5.035 6.818 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 0.057 -0.577 -6.939 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -5.673 -0.931 -12.107 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 -3.108 -35.628 -9.863 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 1.257 7.235 2.194 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 15.930 0.217 -10.172 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 -12.513 15.535 22.673 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 3.215 8.700 -1.922 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -5.805 3.179 -8.286 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 -2.116 5.463 5.736 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 1.890 -5.190 3.206 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 11.216 -8.704 6.427 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -3.235 7.370 14.329 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 0.149 -0.706 -1.675 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 -11.011 -6.154 -12.249 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 11.631 -14.654 18.555 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 1.764 3.571 -4.368 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 2.495 -0.574 -11.520 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -1.583 4.512 -4.887 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 -6.806 2.334 0.755 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 -19.085 -17.033 17.090 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 18.902 -14.608 -11.272 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 -0.801 -3.212 -2.176 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -12.452 1.028 13.425 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 4.075 1.410 -0.976 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -3.488 -3.948 5.786 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 20.993 -3.395 7.365 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -2.823 0.525 2.282 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 3.498 -1.781 -0.899 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 1.996 3.529 -4.026 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 5.168 -9.963 3.915 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 6.830 5.278 1.933 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 7.876 8.804 3.535 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -33.609 -27.087 -3.012 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -2.318 1.965 -3.067 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 -3.312 -2.209 -8.773 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 10.276 -5.916 14.628 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -4.241 5.995 -6.235 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -6.228 -6.217 -15.316 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 5.231 15.414 -6.900 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 3.295 -3.906 -1.861 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 0.193 -12.551 3.359 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 6.314 -5.667 5.227 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 0.012 -0.257 3.697 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 16.819 13.924 -5.367 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 1.504 -1.133 -2.940 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 0.429 4.688 -0.337 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 22.485 -0.704 -6.724 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 -17.031 -1.881 -0.235 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 -1.018 -7.417 0.002 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 18.745 7.095 0.847 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 8.295 8.848 -2.073 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 6.771 2.741 3.149 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 19.112 11.576 -6.542 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -6.191 14.895 7.409 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -2.450 0.555 1.647 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -18.512 -21.458 -15.381 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 1.794 17.174 -23.083 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 3.623 1.471 2.970 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 9.372 7.680 -2.456 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -0.869 -12.808 -6.347 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 0.520 -0.249 4.054 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 -15.478 -19.626 -15.779 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 -2.231 13.664 15.335 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 5.648 3.032 0.937 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 7.108 5.356 3.709 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 -16.425 1.332 -6.082 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -8.566 1.371 5.968 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -9.160 0.588 3.781 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 -9.056 -1.925 -4.077 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 3.191 -8.465 -0.396 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 2.918 -5.644 19.455 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 17.890 -22.380 -4.547 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 3.174 5.954 -1.869 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 4.501 2.804 -4.063 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 -3.741 -5.236 11.929 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 2.836 2.758 5.860 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -16.410 -7.016 0.071 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 10.371 16.194 3.259 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 0.261 -3.302 4.761 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -21.805 -25.371 -22.076 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 -1.058 9.516 -10.024 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 -4.439 2.364 6.883 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 8.470 0.178 18.296 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 -8.875 -11.103 -7.134 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -4.048 -3.316 -1.796 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -3.304 1.356 -2.534 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 -6.903 -10.430 -4.225 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 -3.055 0.879 -5.658 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -1.485 -15.806 5.490 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 30.015 2.513 -29.248 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 -7.428 -0.929 -0.355 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 -7.465 -0.391 -5.082 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 -7.832 -0.651 -3.284 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 2.788 1.979 -0.485 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 9.038 8.794 2.420 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 -14.171 9.799 1.602 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 -0.211 -9.137 -0.248 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 -1.753 -17.005 0.904 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 3.352 3.555 13.073 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -0.753 -1.837 7.043 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 -8.084 17.967 -13.666 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 28.029 -12.826 -0.803 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 1.571 -1.183 -12.314 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -6.132 6.801 -14.539 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -10.696 12.428 -14.005 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 0.278 -4.482 -0.618 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -16.994 16.034 0.035 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 9.000 -33.518 -7.656 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 -2.088 0.010 -2.940 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 -3.701 -9.374 -3.624 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 -11.008 0.220 5.900 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 1.311 4.126 -2.038 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 2.179 5.829 -2.476 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 -1.111 -3.452 -0.017 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 2.264 3.912 3.410 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 9.045 -3.831 -7.386 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 3.014 7.812 10.657 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 1.893 3.267 -0.196 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -1.602 -7.582 -24.073 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -25.128 8.208 9.789 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 -3.441 4.039 2.203 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 3.956 -8.351 -31.653 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -2.786 15.059 -12.878 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 4.625 2.216 1.241 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 4.982 0.391 1.455 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 13.410 -12.358 -9.128 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 4.761 1.227 -1.524 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 11.502 7.787 -11.971 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 -0.932 -5.463 -14.285 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 -0.811 -0.130 -1.660 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 1.372 -0.387 14.397 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 2.349 28.882 18.238 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 2.276 4.769 -2.213 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 -14.852 7.312 -5.486 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 -6.654 3.954 13.182 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -4.376 4.751 -3.561 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 0.585 -3.157 -12.932 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 0.449 13.695 -9.176 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 -10.998 -1.352 1.175 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 -20.043 -17.719 26.002 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -6.916 -14.837 6.901 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -0.114 0.019 -6.217 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 3.559 11.673 -20.022 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -2.926 7.146 -44.444 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 1.091 2.331 4.268 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 6.043 10.171 5.014 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -2.618 15.502 -7.338 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 -1.707 -0.265 -0.005 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 9.091 -9.457 5.678 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 2.243 -2.440 1.888 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 -1.249 -1.695 -2.600 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 0.374 7.619 12.567 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 -10.272 9.449 -13.660 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 -2.211 -2.758 -0.577 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 -3.818 18.067 23.209 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 5.126 3.650 11.538 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 2.553 -0.848 -4.143 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -1.961 7.736 7.026 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 15.995 6.451 -2.824 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 2.726 1.192 5.987 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 15.480 2.911 -3.058 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 5.314 22.942 3.440 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -3.601 0.806 7.446 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 9.575 2.618 14.640 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -0.585 -1.639 1.048 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 -2.197 5.384 -0.145 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 16.813 -9.823 11.016 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 -20.461 6.811 -6.220 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 3.845 0.329 -2.830 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -7.310 5.790 -1.448 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -3.311 3.467 -2.915 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 0.831 2.111 7.106 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 -7.769 0.605 -0.987 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 23.468 11.844 0.292 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 3.039 2.309 -6.352 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -2.228 -9.757 -6.665 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -6.801 -19.705 -10.232 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -5.047 -1.249 0.805 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 15.856 -7.352 -11.395 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 4.708 -0.860 4.076 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 0.081 5.680 0.538 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 4.384 -0.527 -1.319 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 -5.585 2.473 1.478 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 3.871 -4.293 4.193 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 11.131 6.413 5.695 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 14.388 -13.134 1.588 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 -0.043 -5.165 0.026 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -0.989 -10.858 -32.431 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -12.855 -11.588 18.893 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 6.932 1.548 -2.006 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 4.386 10.939 25.360 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 7.306 1.357 -2.961 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 0.360 -2.072 -4.774 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 -21.509 7.959 -15.777 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 37.363 -17.243 14.004 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 -4.882 -6.154 0.131 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 3.347 12.522 -12.981 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 -2.144 1.580 -9.791 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 -1.224 -13.820 0.279 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -10.652 -8.375 2.125 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -5.343 -11.246 -1.266 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 4.229 -2.091 1.078 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 12.653 12.459 -3.045 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 -2.850 -7.558 8.826 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 0.058 -0.845 -2.381 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 3.060 -0.724 -9.819 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -2.132 -1.568 -7.897 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 3.756 -0.661 -9.163 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 4.440 -2.041 -12.663 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 -1.585 -8.380 -2.694 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -4.648 -3.321 -0.209 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 -21.313 6.516 11.379 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 -1.288 -0.974 11.783 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 4.922 -5.984 2.961 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 12.868 0.131 1.344 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 0.601 -4.172 11.565 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 2.621 3.354 1.626 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -16.375 7.395 2.556 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -33.991 -13.640 -13.764 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -0.336 -3.626 3.885 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -15.764 10.798 -9.379 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 8.484 -24.661 -2.645 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -0.633 0.862 3.863 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -2.662 -6.378 -21.340 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 9.094 -16.601 20.682 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 -3.308 -1.037 2.085 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 -17.219 -8.494 -4.923 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 6.236 -17.246 -12.891 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 1.356 0.363 3.191 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 11.430 -6.720 21.214 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 25.460 -23.262 -1.158 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 2.402 -5.891 -1.342 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 2.361 -11.182 -13.239 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 14.359 1.680 21.554 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 7.672 3.119 -4.713 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -8.088 2.202 10.144 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 0.758 -3.592 0.369 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 1.558 4.629 0.437 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 -14.308 -8.900 -1.652 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -17.845 0.121 -5.359 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 1.180 1.161 0.430 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -4.827 0.374 9.819 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 10.267 2.554 4.728 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 0.863 -6.994 -0.142 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 6.558 -15.150 -3.199 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -2.087 -3.378 10.654 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 -1.677 -2.020 -1.594 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -11.297 2.653 12.598 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 10.584 -5.705 -10.859 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 0.195 4.704 -0.499 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 5.154 17.921 -2.174 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 -7.040 9.233 -11.004 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 0.896 2.008 -0.140 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -8.371 1.558 2.027 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 30.709 -0.903 -35.920 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 1.551 -6.163 6.461 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 4.290 -0.350 8.900 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -3.703 -17.554 6.360 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 10.437 -2.346 -7.248 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 0.644 -1.422 -10.017 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 -22.980 -7.110 -11.192 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 3.907 -1.521 -2.541 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 15.782 0.818 -2.924 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 7.002 -5.166 1.281 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 1.122 6.990 -0.485 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 1.007 11.198 5.311 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 7.870 1.300 -6.705 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 7.486 0.931 3.064 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 15.178 -16.033 -6.083 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 4.631 -6.046 7.562 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 2.691 -0.956 3.503 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 -2.101 -0.238 20.043 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 -1.594 22.827 -7.288 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 5.885 4.388 1.715 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 15.975 19.429 1.132 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 8.080 0.719 -2.105 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 3.180 0.366 2.768 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 7.517 -13.116 -4.412 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 34.840 17.346 20.807 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -0.224 6.006 -1.156 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -20.446 19.250 0.877 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 23.767 -15.258 -10.567 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 0.979 3.274 -3.188 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -2.278 -13.729 21.030 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 -2.319 -7.193 17.581 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 -1.032 -0.620 5.097 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 13.651 17.215 34.008 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 -1.138 -9.105 -3.318 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 -3.888 -0.461 -3.088 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 5.970 5.544 -24.098 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 -11.814 -6.039 -0.941 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 -4.340 -5.098 -2.092 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -13.956 4.127 -13.946 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -8.235 -1.278 -18.788 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -2.485 -0.528 3.883 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 8.756 -15.505 13.102 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 -18.591 32.306 19.982 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -4.151 6.806 1.076 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 17.789 38.477 -3.519 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 -15.204 5.998 -7.586 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 -1.015 -3.740 -1.068 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -1.428 -17.074 0.963 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 -17.748 3.355 -11.010 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 2.032 -5.705 -5.308 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -5.104 -24.608 0.491 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 6.072 -7.784 4.047 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 -5.793 -8.024 -0.541 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -5.515 13.754 10.510 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 -7.799 -0.774 7.924 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -6.471 -1.002 -0.888 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -11.146 -0.448 -0.910 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -8.621 -8.957 -12.106 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 5.987 -5.025 2.859 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 2.341 -11.038 -1.942 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 30.521 11.969 25.847 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 0.635 1.318 -0.991 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 -40.212 -18.478 1.134 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -0.466 36.811 9.914 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 4.160 1.384 -5.125 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 32.092 -8.678 -7.450 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 17.240 14.232 -38.075 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 4.275 -0.999 -6.709 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 -0.300 -4.306 -10.570 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 7.172 -11.639 -3.279 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 3.112 -3.996 -3.019 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 8.097 2.957 -17.333 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 3.968 4.462 9.058 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 0.097 -5.154 0.345 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -11.132 -11.953 4.126 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 2.936 -6.987 -12.682 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 1.117 -4.682 6.910 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 4.353 -3.348 11.499 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 0.128 22.724 -29.546 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 7.892 0.149 5.013 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -4.102 -2.456 -0.904 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 8.280 -0.370 0.633 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 1.518 0.274 -3.923 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 23.448 19.813 -4.866 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 3.965 -19.856 -28.767 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 -2.395 -1.017 -1.488 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 28.113 -1.605 -6.707 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -10.707 -29.400 3.115 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 2.491 -0.155 -2.318 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 2.056 -10.300 -5.358 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 -0.341 8.505 -9.504 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 4.366 -5.128 -2.030 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -13.144 -18.172 -12.905 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 5.006 15.126 -14.608 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 -1.222 4.007 2.685 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 -42.999 0.665 -6.138 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 -11.397 5.772 3.764 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -0.481 -0.252 -5.582 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 0.261 -11.258 -4.770 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 8.057 3.639 -8.089 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 -0.486 3.082 -7.495 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 8.962 -8.158 8.569 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 -7.992 -3.262 -10.909 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -3.773 -8.108 6.690 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 4.143 -12.106 6.950 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 -1.605 -1.234 19.846 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -0.240 -0.495 7.035 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 15.755 -5.417 4.061 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 21.043 8.703 29.011 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 -2.614 -2.051 0.415 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 -9.464 -17.073 -2.070 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 -11.489 -21.624 -3.669 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 0.499 9.132 -0.530 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 1.099 10.928 6.860 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 7.226 8.792 -4.567 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 5.572 -2.575 9.265 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 5.057 -17.202 0.852 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 1.296 -9.486 -0.816 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 -2.131 2.588 -0.189 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 -10.789 14.463 -13.263 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 -1.830 3.828 -11.880 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 -1.880 0.881 2.542 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 0.843 16.558 -14.833 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 -9.145 -17.286 -6.548 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 -5.709 1.543 5.718 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 0.375 12.621 11.452 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 -2.007 4.673 8.907 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -4.580 1.205 4.784 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 -4.906 2.428 -4.448 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 -11.601 2.925 7.086 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 1.169 2.721 -1.222 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -3.971 -4.703 4.833 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 11.375 1.328 -0.619 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 3.498 -5.383 0.803 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 -3.046 6.790 -30.934 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 22.051 -30.225 -33.132 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 2.641 -5.815 2.169 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 5.062 -13.325 0.850 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -3.859 -4.547 -3.180 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -0.110 1.301 -2.547 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -31.377 10.352 -6.732 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -12.436 -13.496 -2.237 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 1.823 -4.133 2.947 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 0.786 -34.726 11.438 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -18.727 -0.699 -19.913 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 4.099 -3.308 -3.556 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 3.993 -6.069 9.362 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 -4.429 14.055 -4.476 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 -0.585 -4.766 2.276 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 12.368 -26.965 21.192 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 3.924 7.215 -10.039 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -4.523 -0.654 4.214 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 10.017 5.715 -8.081 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -15.180 -2.991 8.162 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 -2.100 0.850 -0.889 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -2.204 2.559 13.401 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 -10.983 12.409 -6.259 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -3.100 -2.977 1.362 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 7.616 -10.947 11.100 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -14.176 8.649 5.886 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 -4.232 -4.562 4.822 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 11.672 -9.099 5.772 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 1.634 -12.831 3.651 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 3.990 2.187 4.248 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 6.849 -13.040 16.195 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 -10.351 -3.616 0.501 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 -1.122 4.266 -2.958 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 4.432 5.342 5.130 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 5.102 2.095 -7.635 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 -0.755 4.221 3.438 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -4.163 9.436 -1.513 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 -8.718 -8.100 10.893 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 3.573 -0.456 -0.989 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -7.017 -12.334 -6.159 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 -9.678 3.901 10.069 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 -5.598 1.921 0.843 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -0.114 -28.030 -1.922 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 -12.898 -9.062 -22.917 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 2.521 12.775 2.477 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 -16.453 16.573 -24.597 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 13.317 11.832 13.986 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 3.993 3.072 -0.278 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 13.888 10.490 -1.518 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 -8.645 -1.153 2.496 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -1.720 -1.424 1.375 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -11.874 16.349 22.926 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 4.822 -12.034 -19.695 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 0.704 0.479 -0.091 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 5.016 -3.090 6.163 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -4.748 -1.729 -1.326 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -1.764 8.998 1.229 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 -4.638 11.248 0.555 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -7.350 5.792 9.272 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 -4.978 1.049 -6.435 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 -27.629 15.514 1.939 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 -11.410 8.692 -5.763 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 0.781 -8.731 1.352 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 5.210 -15.392 -0.773 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 8.770 -10.852 -0.384 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 0.567 -3.756 -5.298 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -4.410 6.537 -10.512 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -3.028 -3.556 5.802 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -1.256 6.411 0.721 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -9.132 -6.681 10.256 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 12.406 -6.122 9.025 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 0.355 -0.824 3.978 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -3.160 -4.142 -3.909 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 9.070 4.799 -20.396 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -7.021 1.915 0.938 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -12.476 -1.312 14.940 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 -16.474 1.881 -8.944 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 6.635 7.745 -6.154 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 -8.381 -6.699 -10.383 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 10.398 4.161 14.867 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 -5.981 -4.337 3.272 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 -6.126 -13.049 3.855 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -15.229 -24.577 6.331 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 2.431 2.692 -5.981 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 12.662 -10.947 -3.405 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 -1.083 -2.329 -6.657 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -3.196 1.844 -1.126 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 2.659 1.538 8.219 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 9.156 -3.499 13.223 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 9.469 2.444 -5.589 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -13.925 -0.796 -20.263 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 -9.535 30.670 -4.887 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 0.614 -3.486 2.923 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 -10.685 -4.065 8.361 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 11.044 14.199 9.681 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -6.125 -9.771 -4.756 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 -4.775 -8.506 -5.381 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -9.834 -1.172 0.630 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 2.152 3.217 -6.092 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 3.132 -17.422 -5.361 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 0.499 -26.895 -6.701 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 0.976 -8.388 3.637 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 -7.234 1.681 1.599 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 -24.168 -4.376 -10.287 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 0.546 -6.888 -4.122 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 1.699 4.705 -5.738 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 3.622 12.684 -14.053 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 2.765 0.500 3.056 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 4.461 8.737 -0.812 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -8.190 13.242 -8.553 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 1.281 0.087 -7.669 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 16.077 -33.077 10.364 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 11.216 9.203 13.621 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 -3.228 -2.375 3.845 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 24.890 18.870 13.465 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 24.475 6.658 7.742 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -1.513 7.979 -3.885 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -13.980 3.296 -16.773 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -5.301 -14.453 -9.164 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 2.491 -6.661 -0.045 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 1.429 -0.705 16.880 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 0.343 7.058 7.506 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 0.780 -4.922 4.957 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 0.985 -1.877 -3.811 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 12.096 -0.461 14.071 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 1.183 4.220 5.420 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 7.134 -34.196 2.797 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 -6.626 22.889 8.350 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 -2.563 -0.548 -2.631 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 0.091 -1.032 -11.329 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 7.750 -1.981 34.931 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 0.525 -2.391 3.069 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 14.426 -9.400 3.326 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 2.267 11.387 0.075 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 1.702 -6.397 5.930 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 13.223 -2.277 -7.459 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 -7.891 -2.470 16.245 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -1.106 6.332 0.417 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 -8.620 3.223 3.673 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 3.549 12.447 -0.572 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 10.220 -2.615 -2.548 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 13.907 -15.588 -13.644 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 4.863 7.067 11.059 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 -5.555 -1.296 4.321 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 -4.020 -12.320 -0.812 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 1.117 -1.862 1.049 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 -1.574 -2.868 -1.143 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 -2.450 6.176 6.646 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 -0.792 -0.616 6.386 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -1.778 -2.608 -2.521 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -6.420 -7.273 19.789 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -6.647 -18.895 -15.486 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 2.302 1.082 -3.875 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -11.636 13.230 -9.884 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -8.497 -5.091 14.799 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 -2.286 0.401 3.562 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -3.351 -6.250 -17.783 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 8.840 -11.830 0.901 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -0.832 1.656 2.713 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 29.296 1.870 -2.026 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 -10.526 29.719 -4.859 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 -3.146 -2.861 0.641 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 3.527 -6.449 -16.013 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 -5.284 -18.496 14.004 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 0.281 -0.110 1.296 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -2.692 -0.278 7.528 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 -5.669 5.952 33.738 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -6.004 -0.993 -3.159 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 3.475 12.726 12.297 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 -19.153 -1.903 -7.405 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 0.435 1.224 -2.310 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 -0.280 1.286 -4.057 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 0.437 7.640 -2.303 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 -2.151 2.380 -0.833 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 7.210 3.227 4.322 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 33.599 6.958 21.781 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 1.813 2.956 9.439 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 -0.357 7.035 0.059 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 21.810 -7.413 16.487 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 -2.061 0.289 -6.300 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 7.272 -4.304 4.371 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 2.270 -0.516 9.110 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 1.373 2.636 1.879 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 -2.527 -20.057 5.270 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 7.922 -18.826 6.242 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -1.928 0.858 -0.520 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -2.815 -0.188 -0.112 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 0.494 1.330 0.949 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -0.999 2.615 -1.282 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 0.840 -9.471 -7.684 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 5.562 7.679 3.012 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 3.792 -7.912 -0.051 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -0.257 18.403 7.866 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 4.910 -9.331 5.836 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 4.060 -0.950 3.335 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 -7.179 -25.355 -8.125 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 18.908 6.280 -4.842 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 1.869 -3.844 -7.196 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -1.121 2.236 -9.431 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -2.252 -0.518 -5.503 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 3.012 -1.461 -6.301 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 -15.173 -3.205 -24.540 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 1.923 25.927 11.909 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 4.438 -0.290 1.317 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -4.067 1.594 -9.995 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 -5.288 8.329 -13.364 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 4.719 5.478 -0.780 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 16.903 21.459 0.383 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 17.344 24.035 1.398 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 -1.067 -1.555 6.264 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -4.886 3.521 20.894 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 12.444 -9.215 8.083 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 -1.041 -1.226 3.059 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 -5.189 -7.862 4.883 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 13.006 -9.444 3.896 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -0.906 2.665 2.006 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -2.739 -2.093 -11.433 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 5.525 2.743 9.570 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 -0.599 -1.004 -2.878 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 14.187 8.512 -6.293 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 -24.058 8.428 8.602 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 2.832 -2.771 6.718 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 -5.883 -2.890 13.693 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 -19.597 4.080 5.851 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 4.576 -1.143 -4.307 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -3.705 -10.916 -12.942 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -10.470 12.064 -5.460 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 1.385 1.478 -2.054 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 8.548 10.100 -13.348 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -19.922 4.680 -1.673 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 -1.457 -4.271 -0.820 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -9.154 -6.885 0.980 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -0.627 1.622 -2.944 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 2.472 -7.059 -2.096 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 -4.053 0.422 7.851 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 7.815 -0.761 -5.461 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 3.946 3.903 -1.068 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 4.020 5.392 -1.734 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 5.037 6.057 -2.014 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 -3.631 0.703 -1.305 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 -7.887 11.193 -13.359 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 -15.932 14.371 15.698 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 -1.478 -0.208 0.332 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 28.422 -34.328 4.655 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -6.389 -19.523 3.865 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 -5.570 8.540 -2.165 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -12.100 -18.720 7.013 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 7.897 -5.327 -19.482 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -6.282 2.725 -3.126 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 -10.015 14.286 -0.046 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -2.650 3.747 -24.591 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -4.729 -1.114 -0.905 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 24.882 4.068 -12.040 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 2.791 13.965 -0.402 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 5.337 -2.647 -0.038 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 8.287 -3.792 -7.830 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 25.866 -0.269 -22.264 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 -1.434 1.283 -6.201 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 -1.490 -13.778 -1.706 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 -4.621 7.401 7.907 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 2.030 -1.814 1.504 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 27.195 -13.840 12.448 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -16.267 -25.346 -2.408 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 1.899 -0.021 5.035 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 3.370 8.854 14.750 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 1.840 2.989 7.796 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -2.893 1.587 8.841 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 -4.763 -10.221 8.752 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -17.015 -7.691 8.615 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -4.833 -0.727 1.133 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 -13.751 -34.848 -18.888 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 5.129 -13.864 -27.860 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 -1.464 -3.157 -2.739 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 7.672 -8.280 4.745 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 1.399 -4.085 0.043 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 -0.984 -3.266 -3.605 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -0.712 7.129 -18.977 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 0.052 -15.702 11.156 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 -3.437 -8.331 -0.599 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 -5.061 -3.571 -28.828 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 10.760 5.225 10.987 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 -3.923 -2.762 -3.712 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -15.850 -8.696 13.577 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 25.647 15.886 -11.653 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 -3.206 3.392 1.888 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -8.582 2.309 -18.032 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 12.469 17.526 2.563 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 2.083 4.005 -2.673 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -2.518 26.507 -10.171 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 23.429 -7.436 13.100 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 3.384 6.012 3.100 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -2.036 -7.493 -10.429 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -0.983 -6.047 -6.225 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -1.928 -2.339 0.415 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 2.485 7.242 -27.164 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 14.429 22.239 -28.795 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 1.675 -1.624 -4.759 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 11.497 10.572 -0.928 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 18.288 -17.244 -0.855 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 6.578 0.406 -6.374 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -5.514 4.772 -6.300 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 -1.566 4.016 -13.208 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -1.488 -0.659 -2.217 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 -2.375 -5.069 8.661 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 10.475 -12.093 6.325 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -3.636 5.366 -1.889 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 10.410 -15.728 -12.198 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 9.194 -13.628 -11.243 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 4.895 4.741 3.988 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 -9.450 -22.418 1.839 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 16.510 -0.419 21.282 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 2.790 0.061 -3.899 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 23.768 -13.854 -2.159 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 -19.262 14.308 -11.420 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 -0.898 1.313 -2.379 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 -4.380 13.072 -10.688 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 -2.864 -14.586 -9.511 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 -1.562 2.222 -6.010 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -1.985 1.337 -2.262 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 5.237 -14.254 3.955 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 1.686 -1.148 1.136 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 10.154 -5.526 0.389 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 1.182 -8.706 1.120 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 -0.903 -0.198 1.067 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 2.728 -1.323 -17.085 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -7.578 -6.583 26.470 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -1.352 1.233 7.697 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 2.193 -2.242 24.233 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -12.624 -8.885 5.018 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 1.701 0.261 2.170 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 3.560 15.491 -7.247 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 -22.713 3.853 23.977 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 5.670 -7.893 7.165 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 8.631 -7.811 6.011 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 5.304 -7.572 6.696 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 3.370 0.927 0.658 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 -2.117 -11.371 -19.302 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -1.453 -14.000 14.393 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 -8.223 -6.165 4.247 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -1.021 1.051 24.007 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 11.205 -5.826 21.696 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 -2.419 2.427 -0.465 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -14.323 -3.508 0.113 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 8.367 -14.077 0.696 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 0.406 2.001 0.208 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 -12.810 -11.050 14.599 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 -13.354 1.335 -15.304 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 -1.588 5.830 6.552 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -1.647 6.264 9.193 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 4.854 4.874 -15.183 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 0.013 0.608 -3.051 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 4.767 -3.092 -0.440 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -6.221 4.717 7.025 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 -4.765 -3.797 1.299 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 -8.747 -15.263 0.264 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 32.228 -4.259 -0.464 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 1.639 4.174 0.931 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -10.655 32.842 5.072 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 7.118 -5.764 25.623 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 2.864 3.494 4.246 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -10.344 28.191 10.180 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 17.836 -1.952 27.141 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 1.330 3.042 4.738 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 8.044 -9.362 -36.013 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 2.670 10.171 20.193 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -2.305 2.700 -5.848 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 16.002 -10.162 17.123 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -20.456 10.444 -4.209 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -0.642 -1.755 2.477 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 -3.702 -24.550 10.291 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 10.917 -14.211 -1.009 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 5.914 -1.320 1.752 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 16.423 -17.599 29.222 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 8.786 0.821 1.441 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 -0.375 -2.084 0.407 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 0.382 10.715 11.921 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 -0.605 -7.101 -10.351 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 0.716 -2.994 1.821 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 4.206 0.708 3.952 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 10.826 5.836 4.526 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -0.246 9.427 2.437 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 1.309 6.095 7.673 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 -11.438 -19.296 8.915 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -3.904 9.241 3.027 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 8.778 24.721 -18.918 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -15.386 15.166 -4.987 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 -4.834 -3.975 5.987 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -5.158 9.979 23.439 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 5.458 -1.421 12.509 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -0.013 0.200 -3.768 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -10.099 -11.323 -6.532 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -1.361 3.882 2.963 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 -3.412 -5.654 7.202 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 -1.422 3.119 4.202 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 5.521 5.371 8.946 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -5.147 -3.238 3.803 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 -19.508 -8.714 -8.627 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 10.244 8.220 -6.778 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 -1.656 0.459 0.490 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 -4.191 0.284 2.580 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 0.526 5.834 -0.378 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 0.646 3.534 -5.518 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -1.783 1.930 -4.646 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 -0.344 3.064 -4.391 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 0.610 3.841 0.374 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -3.856 -31.092 -27.190 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 -1.995 1.573 22.538 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 2.156 2.162 -2.807 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 18.928 17.118 -6.170 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 -4.068 22.014 -3.951 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 5.035 -4.169 4.076 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 -13.829 -9.451 2.994 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 -2.703 20.883 5.483 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 0.934 -0.970 0.980 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -25.192 -20.608 -10.865 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 -4.222 -3.095 -10.822 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 5.320 2.800 3.828 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -2.978 -6.095 6.205 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -7.028 -1.787 16.712 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 -8.092 -1.606 2.218 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 1.828 7.660 0.688 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 1.022 -8.337 8.997 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 4.490 5.176 -1.932 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -0.042 15.854 2.693 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 -2.026 19.024 1.128 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 1.710 -6.724 -0.826 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 2.902 -4.821 -0.172 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 -11.245 -13.113 -3.060 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 7.656 -0.808 1.307 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 7.394 26.946 4.020 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 4.713 23.708 2.669 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 2.370 -2.114 4.581 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 13.130 -2.765 -0.093 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -20.369 2.072 8.802 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -0.303 -2.297 0.469 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 30.048 -15.857 8.859 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -17.099 14.899 22.296 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 -2.263 1.211 -3.512 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 4.261 3.099 -1.828 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 -0.642 -3.198 3.132 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 6.121 -3.090 -2.904 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 -1.547 -15.768 -21.127 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 14.737 12.452 -31.292 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 6.406 -5.919 -1.231 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 8.303 -26.032 2.635 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 -10.090 -11.534 -18.599 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 0.979 -4.710 -0.133 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 -17.855 4.923 -38.770 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 3.038 4.682 -0.089 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -0.800 0.034 3.554 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 -11.114 12.981 -3.276 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 -6.050 -5.754 18.941 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 0.626 -0.785 -6.738 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 21.762 -4.173 10.019 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 6.845 -22.528 -15.623 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -9.363 0.979 -1.112 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 6.952 8.065 -11.554 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 -13.624 -5.482 -10.206 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 1.170 6.754 7.805 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 -0.834 10.519 7.370 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 1.197 5.860 1.885 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 -1.293 2.982 1.902 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 -13.067 6.724 -18.231 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 -13.997 -0.019 -15.629 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -7.255 0.226 6.684 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -0.772 -4.711 -5.135 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -30.733 -0.655 -1.694 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 9.834 -2.914 2.379 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 3.049 11.811 -13.320 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 13.028 -32.071 18.682 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -0.628 -1.375 -3.655 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -6.964 1.354 -15.743 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 9.528 -1.606 -9.529 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 1.360 -8.256 -0.532 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 -0.192 7.917 -29.227 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -12.358 -5.881 -8.225 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 0.428 6.272 5.938 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 38.928 24.804 14.374 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -17.223 -2.907 3.890 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 -1.529 2.110 -10.259 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 -22.571 -17.070 -9.569 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -21.272 19.396 -14.794 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 3.043 4.114 0.225 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 12.234 11.214 -5.358 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 21.485 2.345 21.738 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 2.714 -3.193 1.824 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 -1.113 -14.142 13.598 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 13.415 23.769 15.656 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 -2.892 -1.347 -6.030 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 -2.185 -20.570 -8.738 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 -26.956 -11.472 2.521 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 -2.423 5.851 3.722 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -13.956 21.556 -4.030 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 0.109 8.777 3.856 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 -0.110 -6.104 -0.455 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 -2.770 11.641 6.832 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -8.529 22.884 11.448 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -6.561 -6.924 -4.375 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -12.744 -4.186 4.481 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 2.622 -6.324 -0.584 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 -3.580 2.276 0.720 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 5.525 16.871 -5.430 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 -0.851 0.129 0.026 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -4.742 -4.109 -4.301 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 -0.319 -10.522 -13.526 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -11.620 2.173 -17.184 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 2.706 0.295 -3.130 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 6.077 1.564 -1.880 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 4.217 1.145 -2.523 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 0.888 2.012 5.002 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -17.379 15.375 1.419 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 10.421 -0.165 10.357 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 6.182 -0.450 -4.177 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 25.812 5.106 -19.954 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 14.448 -13.537 20.677 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -5.133 -2.505 -0.195 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 4.029 -10.063 6.422 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -15.384 8.928 12.253 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -5.311 4.778 1.935 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 13.507 -10.221 -2.463 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 5.851 -22.204 1.708 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 -1.467 -6.012 -3.734 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -7.459 2.486 16.769 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 9.696 -26.381 -2.118 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 1.523 5.629 -0.979 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 11.056 9.391 -1.061 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 2.420 7.094 -1.461 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 -1.010 9.952 -2.503 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 0.859 9.617 -12.176 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -13.608 26.225 14.017 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 -1.786 7.958 -1.751 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 -18.744 6.281 0.697 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 11.120 8.998 0.844 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -0.850 1.340 -4.503 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 11.153 -11.172 -19.183 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 11.518 -10.153 -18.596 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -3.977 4.824 -1.040 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 1.380 7.167 -10.143 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 2.993 4.354 -25.945 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 0.705 0.427 -4.593 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 -2.263 8.197 -4.821 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -7.823 10.648 -9.349 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 -7.191 -3.469 -0.201 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 6.090 -2.354 2.885 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 3.282 -1.878 2.188 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 5.751 4.144 -4.884 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 -17.132 -11.916 -15.392 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 13.193 24.246 4.761 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -0.126 -1.801 -0.606 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 -5.802 -19.448 -17.143 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 9.652 9.761 17.077 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 4.812 -0.999 2.406 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 16.964 10.443 -9.230 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 3.813 -4.568 7.803 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 4.286 5.382 4.285 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 17.986 10.548 -9.709 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 11.018 7.730 -17.362 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 0.390 -1.106 -0.561 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 13.129 10.947 11.634 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 3.447 -1.009 -0.733 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 0.541 2.143 -0.787 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 1.163 6.662 6.885 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 0.883 26.460 18.503 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -5.366 2.091 -0.289 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 5.288 -4.271 -3.185 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 -2.148 -16.014 -13.719 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 0.146 -4.234 2.949 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 3.594 -0.289 3.759 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 13.138 19.985 -6.841 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 -4.564 -0.956 8.563 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 12.105 5.500 -3.472 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 5.191 -14.959 1.049 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 10.252 0.423 2.662 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 7.980 4.781 0.791 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 11.213 -1.006 2.738 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -7.086 6.627 -1.961 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 -0.980 -14.506 12.665 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 -23.394 -8.956 -16.518 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 2.871 -0.101 2.734 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 1.882 -10.483 -13.677 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 4.828 -0.042 22.707 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 -0.886 -0.235 -1.845 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 -1.126 0.678 1.423 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 1.721 -1.334 -0.567 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -0.595 6.022 2.888 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -6.862 -13.349 8.587 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -12.090 2.949 13.151 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 5.049 -0.931 5.000 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 11.489 -9.042 -1.204 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 27.239 -26.546 -22.997 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -3.662 -2.062 -7.232 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 7.468 -0.292 2.301 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -9.982 -22.406 -3.805 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 5.494 -6.037 -0.864 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 -9.705 1.772 23.593 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 11.812 -12.037 1.444 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 8.151 -1.288 -0.642 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -1.303 2.422 15.102 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 18.441 -6.167 -10.859 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -5.416 3.297 -7.922 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -18.743 -17.332 5.109 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -15.773 -9.693 0.456 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 2.159 -1.184 -2.159 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 1.870 1.137 -20.345 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 18.052 -7.400 -0.281 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -1.572 -0.107 -2.154 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 -8.865 1.108 8.014 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 17.467 1.851 12.625 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 -6.752 -3.311 0.522 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 6.498 -12.844 -0.211 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 0.193 -5.646 -1.907 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 0.681 0.022 10.079 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 -15.012 12.577 43.448 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 0.307 -1.487 10.589 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 -4.565 1.153 -0.913 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -9.955 -8.262 8.594 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 -11.759 -6.879 -19.481 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 0.069 1.542 3.932 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 -7.265 -7.089 -3.685 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 8.927 7.227 -7.455 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 1.229 -3.215 7.172 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 18.056 1.103 -1.622 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -5.825 6.213 -4.496 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 -2.709 1.384 2.898 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 20.302 14.890 -14.878 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -2.419 6.129 1.945 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -2.176 8.577 -1.594 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -11.761 -6.558 -6.106 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 6.724 3.690 21.950 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 0.411 -3.082 -2.305 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 -13.298 37.973 7.494 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 -1.624 17.461 3.271 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 0.357 6.199 0.537 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 -0.004 13.316 6.779 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 -0.197 9.205 6.104 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 7.264 -1.801 -7.326 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 4.100 -1.666 -3.210 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 -8.782 -10.611 7.444 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -1.412 -2.147 3.629 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 5.127 -12.907 19.893 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 12.102 -3.935 4.076 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 0.601 -3.684 1.961 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 -14.854 -10.868 -2.963 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 12.792 -36.363 25.563 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 2.374 2.423 -1.663 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 14.425 -4.009 -4.560 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -0.905 7.158 1.554 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -0.074 -1.465 -8.203 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 -2.757 6.998 -9.719 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 -18.308 -0.694 -18.115 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -0.765 -0.392 4.595 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -16.167 12.993 14.182 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 -21.774 18.762 6.076 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 0.637 8.305 -0.020 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 9.352 8.104 -6.703 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 2.034 7.000 8.636 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 -1.465 -0.165 6.876 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 2.241 -8.475 11.111 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 1.837 0.916 -5.344 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -5.535 5.022 -1.173 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 -8.091 -13.131 3.554 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -10.110 -27.543 9.151 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 3.346 -3.603 4.288 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -15.279 -9.966 13.461 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 17.396 -13.878 -9.700 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -0.183 5.640 -2.731 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 -2.701 9.046 -2.026 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 9.748 14.950 -5.101 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 4.332 -4.543 -3.096 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 8.028 -4.017 -6.042 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 4.207 11.565 -10.176 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -2.208 -3.114 3.960 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -1.891 -5.821 -0.092 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 0.007 -11.159 -15.205 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 0.722 -7.570 5.208 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 -8.950 -12.351 4.586 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 -21.679 -15.686 -4.611 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 2.941 3.515 -4.660 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 5.018 4.105 -17.565 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 -2.420 -10.246 26.764 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 -3.854 -2.934 0.929 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -5.851 -1.606 6.985 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 -3.514 -6.425 -1.225 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 2.404 0.544 0.343 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 -1.969 19.737 -26.363 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -34.776 -6.384 6.732 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 7.481 -0.049 1.129 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 6.325 2.651 -2.331 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 12.598 26.933 -4.230 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 -1.376 -2.408 -3.550 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -1.866 -8.468 -10.396 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 0.101 13.904 2.443 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 6.884 0.414 -2.734 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 8.626 -19.913 6.145 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 10.859 8.952 3.075 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -7.726 -8.580 -1.676 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 -17.723 4.314 45.339 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 4.410 5.869 -24.084 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 -1.685 -3.710 2.275 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 0.700 -2.888 2.271 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 13.012 -1.000 10.701 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 -0.699 -2.112 -0.378 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 0.087 -7.145 -2.296 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -0.704 -6.002 -0.743 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -4.638 1.231 -2.348 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 11.525 13.130 -3.162 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 -15.493 -0.201 -20.995 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -6.157 5.599 -1.213 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 -9.804 9.469 6.935 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 -7.776 7.664 2.750 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 2.925 6.806 2.300 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -0.400 -10.846 -10.978 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 32.539 -13.792 28.340 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -7.727 6.415 -6.192 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -11.021 15.075 -19.457 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 -0.250 15.211 -18.470 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -6.469 3.899 -1.974 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -15.738 17.800 9.196 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 2.414 8.297 13.875 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -8.637 2.151 4.167 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 -15.557 -2.587 10.599 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -0.400 0.258 -2.996 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 -0.494 -4.892 0.031 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 3.916 15.421 -15.135 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 -19.540 -5.647 5.310 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -3.322 -2.552 -4.066 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 20.263 -9.000 -20.904 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 -20.883 -4.966 11.661 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 0.916 -1.920 -0.949 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -5.732 1.121 -4.998 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 6.531 -3.486 -6.034 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 0.171 -1.615 6.016 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 15.675 2.032 -7.141 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 22.290 3.078 -12.804 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -1.997 -3.024 -4.933 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -1.225 6.131 -1.331 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -1.494 4.469 -0.770 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 -3.793 2.099 -0.983 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 0.492 2.782 11.745 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 10.104 -12.938 -7.335 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 1.934 8.827 -1.572 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -8.336 11.164 -19.717 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 1.320 -5.325 -2.092 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 6.044 4.619 -1.810 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 -8.467 5.183 6.667 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 6.951 9.668 -7.034 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 0.008 -2.004 3.155 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 18.889 -6.978 23.345 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -2.250 -21.248 -12.664 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 1.859 0.488 0.507 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -14.327 2.130 14.293 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -5.418 -12.604 -15.423 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 -8.551 -2.427 1.021 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 6.289 -9.563 -0.917 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -14.284 0.277 -3.290 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 -9.287 4.718 -3.811 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -19.354 10.292 -0.127 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 0.496 5.135 0.223 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -0.378 1.597 -7.861 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -8.662 -19.339 -14.964 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -3.046 11.970 21.939 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 -4.900 4.246 -0.807 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 17.096 -1.466 -7.731 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -9.537 -2.288 -29.405 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -2.867 1.907 -2.531 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 0.400 -4.843 -16.537 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 1.209 -17.960 4.029 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 0.877 -3.377 2.481 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 16.962 5.348 -6.036 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 -2.377 -9.705 -2.405 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -7.893 2.605 0.368 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -19.535 1.012 -3.006 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -8.929 -0.421 -3.245 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -2.717 3.239 1.306 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -2.569 -18.549 2.933 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 -6.393 -8.320 3.581 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 4.020 1.395 -3.791 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 -6.776 -1.747 -10.729 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -1.359 6.269 1.905 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 0.685 -3.667 -2.276 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -0.340 8.254 -13.539 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 1.118 -4.716 15.012 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -3.196 -1.934 4.029 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -9.633 -8.032 5.153 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 -1.911 6.997 2.368 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 2.848 -10.020 -1.878 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 14.682 -8.719 -7.362 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 -1.234 1.902 -2.378 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 -3.521 -6.715 1.737 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 2.770 -2.778 -12.749 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 -14.429 -10.879 11.330 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 3.234 -6.651 -0.563 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 16.283 -16.546 -11.848 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 0.265 -18.210 3.028 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 0.163 -5.316 -0.686 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -3.803 9.643 13.277 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 -0.148 -10.079 -4.853 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 6.623 -4.339 2.283 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -0.681 -7.891 1.845 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 6.915 3.971 -0.751 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 1.552 -0.212 -0.703 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 7.595 -13.689 -5.616 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -1.259 -18.499 31.218 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 1.762 3.232 0.900 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 1.962 4.157 -0.222 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 2.972 5.587 -2.313 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 2.761 0.933 -8.480 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 -1.442 4.185 -10.515 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 4.365 3.348 -4.553 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 1.025 8.152 1.659 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 12.614 6.044 -3.901 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -10.967 -0.140 25.164 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 5.602 -4.527 -4.135 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 1.603 0.215 -0.822 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 8.385 -8.404 -9.900 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 6.129 -5.164 0.199 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 7.419 -2.473 -11.197 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 18.125 -13.336 5.799 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 1.641 -1.098 2.688 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -3.028 13.255 3.930 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 9.993 -1.894 15.045 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 1.940 -5.035 -6.819 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 -0.477 9.577 21.923 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -0.199 -21.975 -11.952 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -3.991 1.809 8.370 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -1.836 5.484 11.076 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -4.181 14.328 17.253 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 -0.796 -5.307 -0.085 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 9.929 27.249 -17.189 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 -9.268 13.845 -13.537 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 -1.783 5.316 0.878 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -13.382 14.084 18.598 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -2.857 17.839 -8.453 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 -3.279 -1.218 2.118 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -4.027 5.554 -3.735 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 -9.020 -16.847 15.047 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 -2.027 0.677 -5.569 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 -0.902 -3.692 6.075 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -36.698 -9.603 -23.933 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 -7.813 1.226 -3.131 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 2.453 8.649 -13.650 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 -21.338 18.396 3.585 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 7.667 -0.545 5.201 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 2.336 -17.726 -0.005 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -5.996 -19.208 0.725 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 0.342 -3.491 -1.526 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 -0.626 -2.373 1.407 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 0.484 -7.402 -2.409 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 -3.343 -0.566 -7.693 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 -22.499 16.034 -19.605 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -16.104 -7.734 15.133 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -1.048 1.523 -2.669 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 18.250 -4.346 -6.786 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -14.015 3.798 1.192 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 3.546 -2.008 0.592 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 1.096 -3.943 2.974 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 11.597 -9.473 -16.307 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 2.864 0.945 5.490 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -2.036 2.049 13.430 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 6.856 3.373 6.562 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 3.576 0.684 -0.735 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 -13.370 0.746 9.693 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 -11.282 -7.560 -32.532 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 -2.909 5.212 1.269 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -23.397 2.545 9.961 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -12.555 -18.474 -0.978 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 -3.031 6.879 -0.453 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -0.353 9.034 -7.085 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 2.084 5.583 -3.840 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 -0.910 -9.377 2.297 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -20.581 1.980 16.105 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 11.048 1.621 -20.571 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 2.131 -3.423 1.108 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 -7.062 -10.263 17.703 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -7.354 3.778 -11.290 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -1.450 2.986 0.954 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 -7.357 22.127 24.710 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 3.431 -12.898 -19.333 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 -2.633 -1.919 -1.972 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 1.432 -7.630 18.631 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -6.616 -27.936 -17.090 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 0.480 6.314 0.035 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -6.535 -1.411 -3.727 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 5.696 22.384 0.982 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 4.579 -1.241 -1.091 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 19.882 15.673 -24.257 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 3.434 -1.265 -1.039 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 1.613 2.383 -1.068 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 8.417 3.232 24.274 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 16.192 4.473 43.962 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -9.608 1.300 -5.969 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 14.161 11.691 -24.380 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -18.565 26.494 -3.548 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 5.151 1.897 -6.622 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -2.283 -1.693 -20.156 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -22.185 19.240 -23.512 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -0.962 -1.520 6.464 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 1.306 -4.055 4.750 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 0.747 11.016 5.004 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 0.988 2.354 -2.322 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -11.057 0.603 2.193 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 -1.987 -3.836 0.350 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -5.376 -2.378 0.414 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 -13.072 13.974 6.610 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -10.205 -17.551 4.915 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 0.819 0.577 -1.194 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -29.207 -8.472 -5.296 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 22.357 -18.266 -11.062 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -2.594 10.390 7.761 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 5.180 -3.862 9.911 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 6.503 3.012 9.601 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -2.150 -3.019 6.641 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 -8.710 -3.013 -3.142 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 6.612 7.280 1.704 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 4.165 -10.555 -2.412 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 16.520 -31.838 -1.390 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 -7.690 -2.678 -9.332 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 1.502 4.728 -1.922 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 -11.121 5.335 -4.554 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.938 2.133 2.458 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -4.328 0.832 4.574 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 17.848 -2.928 2.786 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 14.090 -17.065 -3.904 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -6.584 1.747 5.015 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 8.754 -12.598 13.365 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 3.072 36.167 -35.204 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 3.120 -5.308 2.860 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 4.050 -6.364 2.300 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 0.839 -15.986 16.323 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 2.344 -7.154 -0.557 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -0.799 6.517 29.613 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 -5.931 10.983 -19.552 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -2.607 0.074 4.377 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 0.592 28.934 2.215 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 11.423 0.541 -27.370 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -1.668 3.560 0.362 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 6.816 1.420 0.081 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -3.959 0.830 -11.962 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 4.100 4.020 -1.696 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 5.293 7.769 9.411 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -15.452 -5.639 -13.521 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 0.387 -1.737 -4.952 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 13.961 -5.546 0.532 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 7.321 -1.117 -3.407 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -6.466 2.383 5.966 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -7.194 -0.144 -14.005 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -16.808 7.711 2.574 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 3.887 2.159 -0.824 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 4.854 15.780 -7.671 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -5.513 -13.497 9.581 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 -4.258 -0.628 -2.893 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 3.320 -3.110 -3.019 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 0.896 18.004 14.622 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 6.343 -2.123 -4.041 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -5.718 -14.210 17.642 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 0.980 5.744 -6.471 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 1.664 -7.732 0.884 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -17.015 -9.847 -16.286 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 0.826 -12.326 8.525 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 1.593 1.656 -3.401 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 3.637 11.910 9.686 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -1.899 -3.138 -24.764 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 -6.816 -4.719 3.550 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 6.397 -4.564 -2.085 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -8.437 -10.183 2.141 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -2.140 0.337 7.799 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 -17.879 2.304 -0.984 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 1.115 -7.860 5.449 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 1.058 -1.409 8.471 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -7.571 -4.643 -0.048 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 11.649 -0.853 20.535 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -5.142 5.905 -2.230 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 10.329 -4.650 1.956 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 24.440 21.418 5.645 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 4.253 -0.172 -1.720 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 -1.725 -9.393 -3.007 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 2.907 2.515 -3.090 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -5.253 1.839 -0.724 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 2.630 -5.037 -5.734 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -14.035 13.252 -5.263 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 1.654 -3.067 1.899 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 -3.303 6.111 17.012 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 2.065 -3.999 -5.310 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 0.406 4.058 5.954 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 15.976 7.606 -0.374 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 -7.749 -0.374 -3.069 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 2.761 9.049 -6.299 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 10.309 10.718 -4.717 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 3.064 -2.418 -10.939 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 1.844 2.140 5.608 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 -18.088 22.912 3.841 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 12.786 3.357 29.965 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 -4.339 4.380 8.278 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 -4.256 7.471 5.303 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 -0.072 9.004 3.355 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 6.986 -11.142 6.754 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 18.601 -17.573 -2.077 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 -4.173 -12.516 -1.726 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 4.902 1.371 -4.036 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 -5.833 26.540 -1.523 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 -11.945 3.463 22.432 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 2.266 -5.837 0.538 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -5.512 -2.326 13.624 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 9.530 -8.617 -12.503 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 0.887 1.356 2.233 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 -6.231 10.169 -1.723 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 -16.884 -5.985 -3.032 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 5.967 10.963 -4.725 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 -1.703 10.044 -9.405 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 12.323 15.071 -10.297 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -3.379 -7.383 2.380 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -3.461 -5.178 10.448 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 0.833 0.178 -4.603 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 -2.755 -0.837 0.556 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 -9.079 2.311 -11.791 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 -17.221 -23.144 -3.599 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 -2.402 -2.481 1.149 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 -0.518 -15.144 -3.647 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 -7.050 -10.839 7.493 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 1.497 2.659 4.546 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 8.056 2.032 5.798 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -2.817 4.109 4.355 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 3.674 4.726 -0.812 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 13.502 -10.201 -13.528 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 -15.362 10.434 -11.739 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 -6.916 4.515 -7.969 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -0.107 -1.531 2.155 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -8.352 -4.123 -18.225 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 6.242 -0.683 2.742 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 19.747 -3.088 -4.163 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 11.491 5.030 -10.241 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 7.052 3.747 4.884 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 2.986 11.527 4.975 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -5.667 9.066 -8.674 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 5.245 -2.410 1.581 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -10.763 -4.960 -3.786 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 20.899 7.239 -1.403 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 5.102 -5.829 0.974 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 16.952 -12.686 9.563 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -21.483 -26.970 3.717 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 2.921 10.233 5.241 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -6.890 35.955 22.260 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 11.168 -1.537 -9.980 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 -6.315 -7.816 1.839 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 2.832 5.063 3.075 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 -19.790 -1.931 -3.408 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -1.115 3.162 0.550 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 8.573 -9.677 10.490 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 11.722 12.868 -14.401 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -1.357 6.670 4.300 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 15.365 -15.157 2.826 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 1.576 -15.361 19.661 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 -2.044 1.965 7.963 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 -4.833 4.936 15.497 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 0.936 -0.192 4.116 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 1.501 2.219 -0.942 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 7.964 2.753 0.344 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -15.129 16.370 -14.146 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 -1.955 -1.714 -3.007 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 -2.845 -9.757 4.127 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 -4.585 -22.562 14.648 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 0.783 1.006 -5.586 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 0.422 2.945 -4.774 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 24.792 7.805 4.030 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -0.478 0.787 2.287 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 27.020 -2.450 5.887 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 -25.036 12.822 2.860 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 -3.508 1.208 -7.088 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -8.153 -9.974 12.369 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 13.608 5.161 -20.946 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -0.303 5.263 1.566 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -2.325 -1.550 -0.114 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 3.551 22.564 -12.947 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 -0.728 -1.058 -0.855 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 -20.755 17.769 10.338 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -9.461 0.754 -4.166 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 3.505 2.618 3.100 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 4.374 -0.177 5.969 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 4.742 -2.949 7.622 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -4.148 3.285 -1.595 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 7.091 -19.996 -3.242 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 4.373 -13.048 -3.086 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 -0.261 0.881 0.925 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 0.731 -5.237 -4.011 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -0.040 11.195 11.990 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 -3.803 2.441 -0.558 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 -0.737 -7.899 -3.111 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 -14.510 11.984 13.244 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 -1.578 4.507 -7.260 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 -1.299 8.698 2.262 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 4.093 10.848 -5.247 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 1.168 -0.767 -3.612 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 1.981 -8.961 -6.574 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 4.150 -7.489 2.378 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 -1.604 11.414 5.138 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 -3.215 11.675 6.317 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 -1.129 13.146 4.630 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 0.675 0.656 2.651 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 0.096 7.695 5.906 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 0.993 0.293 1.609 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 6.960 5.538 -3.584 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 10.812 1.032 -7.979 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 16.052 -2.420 -4.636 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 1.665 -2.782 -1.700 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -4.128 -21.638 13.364 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 8.730 -15.536 -34.776 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 -4.048 -2.990 -1.200 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 -17.638 -6.688 -2.693 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -0.321 9.305 -11.399 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -3.470 0.131 2.278 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 4.243 10.081 -7.406 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 11.770 21.526 -20.149 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 2.158 -2.891 -1.827 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 10.015 5.006 7.137 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 3.343 12.005 -0.163 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 0.394 -5.281 5.842 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 7.496 -6.262 3.583 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 2.522 -13.901 -6.060 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 1.360 -4.852 5.601 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -0.305 -0.170 4.767 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -11.806 17.532 6.960 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -5.366 -4.639 1.769 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 17.378 -25.961 -12.869 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -4.677 -9.568 -4.032 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 2.707 7.258 2.031 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 0.753 -1.187 -12.668 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 13.463 -2.227 11.041 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 8.809 4.829 2.945 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -0.697 -20.118 6.759 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 10.142 11.705 6.469 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 4.437 1.706 5.440 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 5.904 1.809 7.067 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 10.263 0.956 11.744 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 0.452 -6.159 2.237 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 -15.474 -4.714 -5.087 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 14.612 1.872 24.721 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 -4.603 7.955 3.120 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -13.627 -23.871 -40.118 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -21.086 -7.926 12.524 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 -4.207 -3.838 4.117 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 12.487 -5.257 15.004 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -5.320 -33.910 -7.252 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 2.387 3.021 -1.436 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 6.319 4.495 -2.450 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 23.000 3.081 -5.022 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 3.297 3.607 -0.640 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -5.254 11.279 4.550 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 14.493 13.638 -16.590 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 -0.804 -0.162 1.168 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 -1.353 -8.008 -2.691 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 -2.960 13.730 5.669 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 1.536 -0.290 -5.478 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 3.414 -6.539 -11.891 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -5.347 4.575 -8.835 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 3.489 -1.421 0.566 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -6.129 -3.320 -8.433 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 1.746 0.430 10.041 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -2.868 2.340 3.583 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 -1.354 -8.453 -9.100 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 -1.103 -3.548 18.545 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -0.888 -1.552 -0.111 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -4.601 -9.244 -21.728 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -3.472 -5.189 -11.626 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 2.262 -7.265 1.469 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 5.186 -9.079 -11.018 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 0.352 -5.195 9.493 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 -10.450 -1.022 -2.048 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -2.311 9.809 7.265 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 -4.221 -7.837 -13.708 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 -2.487 -3.467 1.873 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 2.431 3.220 1.541 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 -3.336 -1.948 2.399 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -0.206 5.830 -4.192 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -7.174 6.803 -11.872 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 -4.762 0.910 4.215 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 -2.964 4.994 3.746 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 -5.253 -11.571 15.661 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -22.603 1.505 0.969 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 -8.056 6.690 0.097 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -12.418 2.906 -21.489 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 -15.141 1.853 -12.704 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 -3.779 -2.918 -7.473 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 -11.004 -10.751 -4.094 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 -8.108 3.668 -5.414 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 -0.757 4.176 1.439 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 4.768 13.736 4.300 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 0.471 5.315 -2.359 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -0.348 0.290 -1.547 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -0.248 -15.556 13.569 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 8.781 -0.272 -19.609 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 -3.686 -1.593 -0.857 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -0.593 -24.082 -4.230 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 4.054 -0.071 10.137 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -4.396 -5.973 1.095 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 5.058 9.155 4.154 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 12.900 7.302 1.681 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 1.009 -5.229 0.008 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 0.585 15.921 -3.860 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 -16.899 -18.858 16.736 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -10.364 -7.874 -2.807 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 -14.967 -11.765 -2.610 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -11.996 -9.688 -2.908 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 -1.881 3.812 -3.619 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 37.434 -7.813 -4.728 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -6.326 34.508 20.621 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 1.192 -1.802 0.006 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 -8.731 13.272 5.845 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 -3.024 -18.334 -19.686 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 1.149 6.487 2.913 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 0.942 3.773 -14.726 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -15.570 15.981 10.128 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 0.696 -0.221 -3.196 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 16.897 16.444 -2.075 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -24.452 8.332 -27.393 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 6.020 6.792 -1.219 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 -15.765 3.003 -3.183 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 -9.617 4.487 -3.301 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -4.788 -5.035 8.905 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 2.504 -8.382 9.553 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 8.866 -7.676 5.294 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -4.727 2.309 -3.883 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -3.327 2.005 -29.819 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 19.196 5.708 3.881 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -4.624 4.131 0.411 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -9.696 -1.887 -9.371 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 -9.306 4.943 -3.480 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 -4.246 -4.548 4.834 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 0.615 -10.680 9.731 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 11.684 20.539 0.345 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 2.407 -0.165 0.638 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -6.132 5.878 21.721 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 -0.208 1.628 7.860 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 3.563 -2.814 -3.886 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 21.206 -21.330 -7.707 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -3.422 -18.244 -15.073 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -1.382 -3.591 2.428 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -5.995 8.497 4.882 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 3.518 -20.987 -1.849 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 -0.647 -2.741 2.960 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 -0.589 1.889 4.993 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 12.965 -9.425 3.949 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 1.381 -7.466 -0.369 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 15.177 13.659 -3.556 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 -18.068 9.655 -7.897 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -4.261 5.969 -2.997 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 5.851 24.136 -2.913 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 2.078 -8.349 -15.401 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 -1.696 -6.606 1.641 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -6.287 -3.553 -5.384 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -1.653 -11.816 3.813 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 -5.096 -0.449 -0.956 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 4.740 13.545 -3.581 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 -10.675 -12.350 -9.884 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 4.223 3.452 0.365 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 16.937 -6.752 -5.220 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 -6.854 3.671 5.709 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 0.947 8.191 -0.600 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 -29.184 1.471 -1.708 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -8.178 12.429 10.121 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 -1.512 0.432 9.199 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 9.908 -14.425 7.361 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -10.729 5.896 9.370 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 -5.289 -2.953 1.717 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 -15.343 -0.627 -4.208 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 2.405 -24.538 8.718 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 3.608 2.319 -7.004 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 -5.724 21.080 -12.264 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 14.498 -5.653 -11.404 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 3.933 -1.808 -4.473 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -10.129 4.648 2.184 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 11.961 -4.608 7.395 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 4.781 -3.787 3.381 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 5.666 5.166 -6.200 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 -1.790 -1.898 -5.506 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -5.826 3.929 2.156 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 -14.930 -1.452 6.284 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 2.162 3.038 9.040 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 -1.808 6.099 -6.340 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -5.419 8.578 -9.792 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 15.340 -13.646 11.180 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 -4.054 3.763 5.044 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 13.705 7.089 13.213 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 25.762 9.466 19.029 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 -5.258 -11.114 -5.425 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -8.005 -13.130 -4.089 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 -2.323 -12.078 -3.592 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 3.927 -2.965 2.184 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 0.805 2.790 2.833 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 4.031 -5.050 9.745 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -0.344 4.583 0.790 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 12.814 14.037 -4.019 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -3.540 5.461 14.711 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -4.305 -4.976 4.280 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -9.865 -8.219 1.890 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -12.536 -11.158 -2.040 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 1.396 8.352 -0.370 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -16.387 1.940 -6.208 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 0.243 -5.522 5.258 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 -1.295 -4.708 5.186 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 7.390 -9.729 4.256 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 4.220 0.775 7.205 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 3.631 0.356 3.484 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 3.168 6.354 13.085 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 1.351 -5.536 -8.725 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 6.945 -4.580 0.271 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 24.121 8.961 4.481 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 19.135 3.971 5.883 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 0.069 -1.869 1.505 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 14.478 16.972 -25.255 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 15.509 -15.406 -9.435 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 1.791 1.638 0.177 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 3.229 8.939 -0.002 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -4.936 6.008 0.510 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 5.856 -2.369 -0.318 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 0.060 -4.778 12.936 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 -0.117 -7.890 6.501 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -2.692 1.323 1.910 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 -11.980 -18.700 -10.102 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 -23.168 -3.544 -30.547 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -7.420 -7.121 11.732 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 7.571 -11.076 -5.463 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 -9.837 -0.740 -12.434 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -4.678 2.120 4.095 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -23.188 -24.293 23.386 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 4.883 15.873 -11.751 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 2.288 -5.830 -1.384 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 15.127 2.129 5.803 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 2.593 -15.997 -14.084 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -2.662 -3.138 -7.606 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 3.051 0.507 10.458 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -20.847 -12.528 6.354 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 -1.252 -0.084 5.232 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 -8.514 3.354 4.484 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 -21.463 15.535 3.365 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 9.140 -0.232 -7.142 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 3.726 -4.832 -2.047 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 8.181 10.196 -3.191 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -3.736 -3.276 4.806 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -1.444 18.949 -22.658 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 -3.201 -13.373 17.677 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 0.679 0.734 4.906 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -3.995 -4.283 -4.591 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -2.070 -2.937 0.061 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 -2.441 -1.296 1.682 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 13.655 -14.333 -5.247 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 4.347 10.901 -38.447 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 -1.315 -0.048 -6.975 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 5.429 -2.588 -1.086 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 -16.115 1.869 -29.390 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 1.022 -4.478 2.772 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 3.510 -18.134 0.516 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 -10.562 -4.004 3.766 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -0.885 -9.026 2.062 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 10.974 -14.265 1.318 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 -22.476 26.587 16.205 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -1.457 0.291 1.569 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 2.043 -1.991 0.554 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 -28.028 17.838 9.566 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 6.502 1.785 2.903 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 1.635 -11.512 -1.534 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 -6.490 -22.916 -5.432 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -2.636 0.597 9.466 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 -0.813 2.347 8.766 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -0.332 0.703 11.204 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -2.242 8.524 5.251 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 17.451 1.631 -25.637 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 9.324 14.664 -10.965 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -7.650 1.939 -3.758 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -11.319 -16.013 19.567 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 -17.257 2.856 -5.649 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 -0.558 0.481 -7.985 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 3.930 -0.222 -4.141 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 -11.114 1.138 -0.046 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -5.427 -0.859 -2.516 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 -4.569 -1.128 9.900 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 21.771 19.511 -3.439 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 -0.953 2.836 -3.429 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -11.592 -5.989 11.184 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 5.892 -28.858 9.698 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -0.173 1.846 1.838 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 -10.202 24.540 7.259 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -8.248 -4.214 -15.244 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 1.029 -3.235 -7.559 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 6.775 15.901 -12.234 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 4.933 3.313 -6.822 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 4.021 3.842 -3.834 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 -0.555 16.087 1.248 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 -0.539 2.076 -14.036 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 5.906 6.164 1.149 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 14.205 14.245 9.244 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 -7.579 5.094 -5.823 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 1.499 8.827 0.388 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 5.976 11.094 -1.336 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 -1.788 15.110 7.134 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 3.988 2.921 -8.505 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 18.156 -4.376 -8.768 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 -3.689 -1.614 -24.599 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -0.442 -0.403 1.586 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 -15.527 -7.512 0.606 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 18.965 2.038 6.483 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 2.769 4.628 2.930 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 23.647 3.111 -0.042 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 -4.291 -1.843 -14.397 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 -2.226 0.430 -7.713 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -0.845 6.557 -3.149 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 -3.384 13.170 -4.280 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 0.697 4.172 2.418 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 1.742 5.557 -0.216 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 2.832 10.602 2.095 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 4.129 1.152 5.475 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 8.095 -5.390 5.862 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 7.974 -4.072 10.166 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -6.140 4.152 4.186 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -14.386 -4.085 -25.337 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 10.075 25.577 -10.523 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 -1.114 3.402 1.486 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -1.175 6.198 5.574 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -1.179 7.312 -1.477 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -1.673 -6.544 -7.724 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 12.168 0.188 -9.486 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 17.613 -9.642 -21.230 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 -2.312 -0.684 6.720 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -1.555 2.422 -3.997 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 -2.647 2.490 3.097 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 1.112 -3.273 -6.142 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 1.934 -9.330 -11.141 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 -1.110 5.535 -4.610 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 6.234 0.149 2.499 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 -10.334 -4.041 12.625 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -12.769 -3.441 -11.464 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 0.267 2.559 0.179 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 -11.213 3.258 6.965 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 9.662 2.804 -5.665 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 2.383 1.045 -2.665 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 -0.582 0.281 -6.682 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 21.756 9.146 18.291 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 -7.422 5.406 -4.648 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 13.695 2.551 15.755 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 3.025 -27.665 6.653 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 2.210 -2.320 -8.955 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 1.152 7.227 12.669 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 17.713 3.955 -3.644 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -2.414 0.198 2.223 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 -4.150 -1.730 5.080 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 6.456 17.693 -27.602 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 2.428 4.308 -3.195 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -0.666 6.718 -1.299 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 10.906 10.427 8.695 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -0.240 0.523 -0.268 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 18.782 -21.302 3.666 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 19.598 -23.403 16.223 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -10.311 0.482 -0.033 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 -10.707 -9.675 18.855 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 3.899 3.190 -1.777 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 0.846 4.865 1.418 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 2.408 10.312 -7.996 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 -1.213 24.783 -17.182 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 -3.428 -2.083 -4.003 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -28.065 10.108 -22.794 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 16.062 4.896 1.360 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 0.587 -2.719 2.958 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 -9.839 -10.673 17.195 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -11.998 11.757 -0.238 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -1.876 0.696 -2.513 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 -9.906 8.185 9.934 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 0.126 -0.147 -10.729 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -4.988 4.140 -4.853 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 8.663 18.222 -26.123 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 0.874 -24.871 -3.710 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 -2.182 -3.760 7.546 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 -2.684 -4.976 8.510 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 -10.628 21.651 3.261 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 0.558 -2.714 -0.451 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 0.922 -2.115 1.643 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 3.250 -0.762 12.507 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 7.457 0.963 4.791 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -2.782 -5.670 7.690 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 20.917 7.439 4.936 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 6.914 -0.850 -1.073 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -0.427 3.301 -3.938 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 5.084 -4.631 -3.226 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 7.029 -2.057 1.210 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 -0.195 21.365 7.164 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -12.394 -16.922 -4.404 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 4.985 -1.136 2.448 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 2.015 -10.739 -1.433 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 -0.546 -21.736 -17.239 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -6.457 8.501 3.111 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 4.924 -26.062 4.759 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -3.848 1.897 -2.003 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 3.712 3.069 0.439 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 4.991 7.047 1.212 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 8.159 2.433 -1.688 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 2.421 -2.914 4.752 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 3.011 5.981 13.615 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 4.951 7.064 7.166 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 1.046 -1.589 1.806 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 0.370 13.174 -4.832 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 -16.050 -2.640 -31.059 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 0.105 -1.987 -3.402 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 5.828 21.017 7.527 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 21.059 -12.259 -2.952 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 5.204 -5.097 -0.199 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 -0.521 -5.125 12.541 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 13.137 -4.231 -6.960 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 -1.384 -0.527 -2.206 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 0.814 -18.666 2.697 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 20.138 -0.309 1.646 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 -2.036 -1.877 -4.698 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 -17.418 -5.096 -2.969 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -14.076 -11.331 -2.597 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 3.022 1.326 -3.741 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 -2.519 1.231 1.454 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 2.013 0.623 12.291 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 2.201 -1.319 3.584 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 7.763 10.134 17.277 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 16.015 -7.086 1.682 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 1.447 -0.255 3.784 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 8.892 -12.126 -10.164 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 4.524 1.877 12.996 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 3.209 0.471 0.684 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 10.293 1.029 -10.342 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 8.590 -4.764 -10.091 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 -2.344 6.308 -1.360 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 4.438 -14.228 2.111 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 6.119 -29.467 8.605 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 0.411 -4.827 2.860 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 5.827 -16.010 20.506 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -16.840 -8.524 -0.995 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -2.934 0.142 -1.066 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 9.763 8.542 1.034 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 4.611 -20.317 -8.201 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 2.539 1.504 3.523 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 2.330 2.223 2.941 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 1.755 1.528 2.613 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 2.553 -3.640 -1.795 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 7.449 -25.144 2.915 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 -17.900 -2.658 -4.176 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 -3.980 0.791 1.334 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -3.906 -5.713 15.990 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 8.735 5.715 -7.758 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 1.843 1.756 3.125 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 2.498 0.434 16.448 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 6.623 2.826 -4.872 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -4.029 -2.568 0.211 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 8.044 -21.650 0.201 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 5.531 -1.134 12.844 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 5.137 -0.334 -0.194 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 12.158 24.323 -2.748 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 -9.403 11.393 4.836 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 -2.852 2.730 3.520 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 -20.935 -14.784 -4.128 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 -14.210 13.098 -1.014 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -4.411 1.185 5.174 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 8.262 -8.000 -13.435 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -4.766 3.257 7.228 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -0.095 2.827 -6.646 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -10.836 4.517 -16.339 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 25.715 9.763 -4.849 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 -3.227 -6.977 4.594 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 26.007 12.819 -3.098 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -21.971 24.172 3.839 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 4.933 -1.559 8.495 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 0.423 -1.490 7.052 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 8.446 -5.990 11.605 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -4.274 -6.561 -4.967 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 8.413 5.353 13.597 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 6.810 -3.134 6.606 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 -7.131 2.058 3.264 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -14.185 -6.039 4.219 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -6.590 2.516 -15.147 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -7.366 0.403 -3.680 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 3.580 -14.304 -15.648 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 4.042 18.028 -16.767 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 -5.150 6.194 5.009 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 -5.174 11.622 4.547 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 -5.278 -1.198 -11.524 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 7.420 -2.552 -4.611 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 19.216 -22.582 8.420 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -0.943 25.522 5.056 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -4.329 1.629 5.284 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 0.089 -0.994 -11.250 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -13.759 4.944 29.206 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 2.099 -0.022 -2.346 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -5.138 -1.083 6.676 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 8.152 -0.909 0.216 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -2.218 -4.047 1.695 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 4.772 -1.466 -11.151 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 -4.982 -1.856 1.218 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 3.732 1.239 -7.528 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 -0.390 1.203 -10.491 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 13.747 9.592 3.525 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 -0.827 7.232 -1.654 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 22.018 25.314 12.893 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 -4.859 -21.064 -2.268 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 -2.721 -2.172 -10.317 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 9.029 -2.543 -13.084 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -23.970 4.427 -11.264 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 0.703 1.609 2.596 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -16.534 -6.756 7.757 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -2.443 10.916 -10.262 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 -0.828 -4.697 -0.589 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 7.326 0.634 -6.811 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 0.690 -7.227 10.054 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 -0.600 -1.552 3.619 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 -14.642 2.418 4.335 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 2.984 9.386 5.792 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -2.214 -1.276 8.673 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 16.463 -2.611 -14.132 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 10.612 8.094 -0.935 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -1.063 -0.652 0.904 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 -0.054 9.150 19.142 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -0.540 4.381 9.703 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 5.134 3.614 1.466 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -7.139 9.272 8.323 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 12.471 8.826 13.854 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 2.947 -4.777 3.979 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -3.881 0.304 7.437 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 1.876 -5.441 -5.842 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -4.510 0.171 -1.979 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 0.584 13.484 -18.281 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 -34.361 25.404 4.982 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -0.466 -3.529 -3.269 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 6.572 -7.095 -13.694 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -2.018 -14.339 1.758 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -1.950 2.209 0.787 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 -7.044 -6.364 11.251 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -16.550 -12.410 -2.581 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -0.442 1.661 -0.005 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 13.228 -5.171 29.933 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 15.486 -28.104 4.904 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 6.404 0.793 -6.415 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 7.710 2.870 18.087 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -18.029 4.245 -10.873 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 -1.336 -6.479 -6.554 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 -5.601 -13.613 2.130 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 11.272 6.454 -4.502 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 2.741 -1.603 -1.728 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 -8.798 -12.109 -15.555 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 7.563 20.785 -7.814 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 2.356 9.396 1.143 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 -16.582 11.632 0.623 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 4.126 26.100 -3.689 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 -9.037 -2.618 2.720 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 -3.856 3.186 3.772 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 2.582 17.393 5.171 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 3.892 -0.335 -6.575 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 -9.702 9.551 -0.561 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 6.128 3.190 0.490 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 1.042 -3.270 -3.856 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 -18.645 -3.181 1.543 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 -16.200 11.319 25.652 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 3.477 0.018 -3.617 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -9.753 0.282 -6.757 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 10.404 18.949 -3.665 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -1.984 -1.560 -6.461 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 -18.219 -6.308 -7.046 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 -21.190 2.390 4.237 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 1.609 -2.477 0.826 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 38.729 -10.012 -10.397 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 15.667 -3.734 -21.360 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 0.223 5.778 -1.586 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 -0.346 0.597 13.851 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 7.390 3.297 -14.729 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -0.142 2.176 -3.826 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 -1.010 11.240 -10.911 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 10.682 -10.873 6.258 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 4.136 2.597 -1.620 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 -10.166 -15.813 4.543 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -13.226 0.762 2.123 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 -0.485 -5.751 -1.334 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 2.502 -0.384 -4.645 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -8.034 -6.795 -10.094 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -3.214 3.413 6.835 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -4.753 -4.043 6.741 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 14.437 -4.138 10.045 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 3.866 -0.427 -7.342 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 26.490 40.959 -7.540 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 13.828 18.755 3.759 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 1.659 0.242 -1.912 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 7.640 -10.120 13.327 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 12.780 10.208 -25.724 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -5.225 -2.387 -6.499 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 -6.394 -3.245 -5.486 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 -7.193 6.651 0.545 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 2.239 -2.347 -5.014 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 9.982 4.207 -16.227 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 -1.518 -1.232 -15.169 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -2.838 0.675 1.170 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 4.597 25.130 -4.665 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 -5.596 -10.217 -22.671 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 3.014 8.798 3.238 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 4.853 8.403 -1.634 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 1.768 10.033 15.971 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 -11.718 2.534 3.086 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -34.555 38.322 4.699 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 14.672 5.293 25.750 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -0.794 -9.671 -7.994 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 13.251 5.360 -11.299 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -9.682 6.960 -2.575 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -0.317 -2.768 7.618 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -0.355 -7.838 22.114 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 13.017 -2.238 2.729 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 1.863 -0.705 2.820 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 -7.036 -5.058 -19.053 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 1.641 21.004 17.160 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 3.532 -1.869 -2.533 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -2.301 8.442 -8.466 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 4.921 6.981 -2.640 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 0.988 5.009 -5.708 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 2.675 22.465 -0.324 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 5.597 21.994 -3.314 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 1.441 -1.324 3.449 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 9.127 -18.955 14.028 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 -3.994 -13.156 4.556 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 0.388 1.328 -1.471 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 -0.040 0.826 -0.597 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 2.463 -4.264 7.590 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 0.932 -8.733 5.651 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 17.608 4.793 11.816 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 5.184 4.836 -2.283 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 0.438 2.739 3.416 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 8.325 -0.140 -14.548 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -3.344 -7.274 6.409 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -0.035 2.642 -4.605 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 -1.164 -6.472 -15.418 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -1.244 8.992 3.849 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 3.118 -1.254 2.873 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -0.473 16.816 -3.579 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 18.606 16.886 1.365 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 0.759 1.095 -0.377 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 13.023 -1.915 -10.956 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 25.846 -16.395 -13.062 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 0.650 4.833 -4.336 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -11.935 12.757 -25.220 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 11.889 14.154 -18.645 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 3.389 0.371 -1.253 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 -1.030 0.642 12.624 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 2.519 0.267 8.289 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -5.732 2.660 -2.610 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 0.725 20.502 -18.388 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 14.831 1.517 25.406 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 2.552 -6.503 4.134 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -0.937 -0.371 -17.042 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -4.903 -11.646 -13.753 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 -5.826 -2.278 1.109 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 1.309 13.337 -5.855 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -12.030 -4.582 9.205 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 -5.553 -0.519 2.753 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -8.388 -10.233 6.969 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 10.776 -20.483 -14.459 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -6.865 1.837 -2.202 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 -18.072 -22.545 6.637 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 -7.487 2.674 -12.582 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 3.055 3.152 -3.244 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 5.669 -5.801 -29.161 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 20.463 24.140 0.281 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 2.529 -3.197 -6.365 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 6.765 -10.236 -5.541 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -4.652 -4.079 -12.616 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 2.081 5.220 1.039 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 15.060 8.156 15.698 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 -1.968 5.463 -1.744 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -1.426 -0.923 -3.309 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 5.627 -20.038 21.358 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -26.078 11.314 2.394 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 4.129 0.392 -0.966 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 2.034 -2.738 0.925 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 3.668 5.954 -7.318 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 1.963 -3.099 2.724 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -1.766 -5.383 4.559 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 -5.317 -13.037 -5.106 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -3.814 -2.454 -6.008 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 -6.149 -9.347 -0.760 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -5.921 -6.494 -1.063 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 3.249 -1.387 -1.811 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 -0.085 0.511 -2.718 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 7.594 1.338 -3.352 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 -2.704 -3.641 -4.382 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 10.101 7.035 0.364 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 3.876 -2.885 -11.819 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 -4.254 0.840 2.868 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -10.267 -11.508 7.658 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -16.355 -12.642 -13.501 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 0.469 -7.646 -2.764 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 4.582 -9.620 -13.290 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 -23.885 -45.302 4.180 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 -2.819 1.591 -6.811 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 6.872 -12.409 -2.490 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 -19.637 27.399 -24.409 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 2.390 3.872 -1.045 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 2.213 18.595 14.733 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -1.516 -2.590 -12.488 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 3.470 -5.230 6.189 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 0.438 7.908 2.911 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -5.180 -4.705 3.008 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -2.534 -3.050 3.751 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -19.012 -7.831 -17.495 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -9.852 4.911 23.077 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 -0.122 3.886 -3.822 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 14.504 -23.717 -33.093 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -4.222 15.457 -2.318 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -1.879 -2.184 -0.228 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 6.388 -1.005 15.516 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 3.181 0.240 11.595 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 -2.062 -2.484 -5.606 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 1.439 -10.849 -15.572 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 8.394 3.534 19.293 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 7.542 4.116 8.367 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 15.278 3.579 -3.330 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 0.089 7.724 3.716 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -7.936 0.046 5.038 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 2.234 24.881 2.630 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -4.390 2.568 5.276 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 8.514 1.890 0.078 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -11.239 -6.118 7.008 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 14.164 12.658 1.112 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -3.710 1.005 -3.889 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -14.037 -10.027 8.104 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 2.213 14.022 -5.676 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 11.769 1.215 -2.681 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 5.228 -11.073 7.311 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 -1.243 9.883 -3.584 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -7.237 2.480 4.976 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -20.179 -8.945 28.149 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 2.654 6.351 -5.636 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 0.773 -0.733 4.403 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 1.264 3.537 2.430 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 0.345 6.309 6.547 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -4.539 1.136 4.906 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 -14.280 -14.512 -1.378 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 6.454 -6.583 16.816 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 4.229 -0.551 2.634 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 6.172 1.323 -6.837 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 0.325 -9.699 2.877 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 0.536 2.308 -2.212 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 3.999 27.433 11.325 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 19.085 -13.806 14.955 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 2.271 -1.623 1.217 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -28.392 5.005 1.300 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -2.610 -16.182 12.589 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 2.352 0.939 -2.163 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 7.302 2.682 -1.717 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 -6.811 -0.651 -1.891 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 2.052 -3.424 -1.627 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -19.152 -14.709 3.901 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -20.050 -6.183 38.932 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -4.330 -3.257 -4.457 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 -0.888 0.089 -17.943 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -14.533 11.874 -14.657 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -1.761 -0.430 9.917 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 5.955 6.142 7.268 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 2.254 -8.926 11.964 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 5.359 -2.239 2.237 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 -6.552 1.048 -9.051 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -6.249 8.190 -15.729 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 5.864 -3.324 5.557 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 -8.981 12.136 3.340 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 10.895 0.118 -0.100 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 1.027 -0.186 0.304 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 2.070 -0.756 -0.103 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -4.329 -5.029 -2.547 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 -2.023 -2.885 -2.752 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 10.369 -15.789 0.844 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 -6.691 5.646 -14.276 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 0.013 9.931 1.004 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 12.924 2.425 1.088 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 4.987 -2.244 0.193 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 6.913 1.441 3.437 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -7.711 -0.125 9.292 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 10.039 22.108 -7.705 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 1.452 -3.448 2.955 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 8.580 7.313 -11.753 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 0.231 -6.834 7.145 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -2.095 2.858 1.287 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -23.427 9.655 -16.120 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -6.127 4.991 28.491 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 2.559 -1.848 -0.610 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 -3.686 3.408 -1.029 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 4.704 3.033 -3.721 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 1.121 -6.265 0.081 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 -42.193 -10.178 -4.780 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 20.640 11.138 -10.025 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -1.832 -5.381 -3.502 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -15.581 -19.922 -2.082 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 1.183 -3.624 -23.701 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -10.408 8.118 -2.420 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 -22.408 -5.683 -5.383 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -15.584 25.938 6.112 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 2.650 1.451 -3.441 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 -13.684 0.180 -2.687 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 7.340 12.369 -1.577 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 4.049 8.247 -7.527 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 -8.832 9.018 -13.760 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 4.628 16.017 4.603 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 0.802 3.423 -1.964 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 -3.286 -2.618 2.282 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 2.841 11.375 2.362 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 1.888 3.662 2.734 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 6.318 6.800 15.020 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 3.868 5.259 8.590 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 -12.732 -1.572 -7.971 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -3.085 3.799 0.962 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 -2.408 7.635 0.970 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 -2.200 -1.604 -3.847 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 1.083 6.280 -5.756 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -9.831 -5.648 -1.695 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 11.551 5.504 -1.133 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 18.760 0.315 -6.005 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 5.758 9.802 -0.291 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 -3.572 -1.477 -0.960 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 -2.756 -5.531 7.280 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 4.968 -3.985 5.895 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -2.348 4.257 -3.252 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -2.786 12.888 0.062 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 -10.156 0.250 -1.829 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -1.144 -0.954 1.239 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 7.455 1.845 19.943 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 -2.165 14.614 -6.142 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -3.253 -12.284 -3.332 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 -5.128 -4.323 -10.753 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -20.037 31.260 -35.914 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 0.973 1.425 -2.629 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 11.462 5.822 -2.595 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -22.570 14.087 -6.712 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 -6.497 -3.406 1.258 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 12.814 -5.836 2.722 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -0.547 -7.980 -0.063 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 0.801 5.863 7.057 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 -7.008 15.030 0.168 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 -6.848 -13.205 3.462 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 2.908 0.812 2.524 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 10.080 -2.136 -0.720 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 11.571 -9.044 -1.658 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 -0.087 -2.283 3.031 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 -13.161 -10.736 5.142 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 -27.987 -26.341 -5.454 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 2.177 4.603 1.424 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 -5.867 -9.517 25.143 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 21.261 -0.477 8.939 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 3.352 0.179 -1.177 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 -11.358 -7.119 0.989 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 3.466 8.081 -34.366 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 -2.590 1.482 -0.360 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 8.550 -5.398 17.168 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -10.798 6.822 -13.158 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 1.732 -7.395 -10.661 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 -7.326 -3.762 -9.048 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 24.741 -13.135 -18.022 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 2.674 3.311 -1.149 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 4.299 16.132 -1.875 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 15.483 -2.770 12.148 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 0.193 -7.888 6.282 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -6.061 -2.641 12.962 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 2.694 2.555 4.086 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -4.550 -4.111 -3.997 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 15.507 5.523 -8.936 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 -1.906 6.864 -21.031 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -9.768 3.125 5.012 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -8.712 -4.620 -2.678 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 17.226 -8.775 -17.842 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 3.536 1.906 -2.585 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -21.386 -15.443 4.402 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -23.228 -17.056 5.302 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 -2.174 -0.993 4.087 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 14.090 -9.735 -8.376 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -21.598 21.559 8.683 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -1.368 3.935 1.528 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 4.694 -8.634 -15.686 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -2.058 18.248 12.429 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 -0.565 2.162 0.751 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 1.257 5.608 2.378 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 0.344 -1.891 -5.667 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -2.663 -0.945 -3.070 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 18.227 -23.685 -30.347 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -7.110 3.394 -3.803 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 0.009 -2.011 -0.201 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -3.650 -0.321 -1.152 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 -19.166 18.247 7.540 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 6.055 -3.632 3.046 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 22.346 -5.142 0.225 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 6.018 -2.614 18.888 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 0.154 2.262 4.900 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 -10.347 -12.020 9.048 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 10.264 -4.370 11.374 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -6.350 2.365 -2.141 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 4.279 -6.872 30.624 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 27.799 14.350 -6.115 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 0.174 -2.697 4.182 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 8.671 -13.733 1.886 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -15.301 -9.105 22.140 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 2.690 7.803 3.534 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 13.586 2.224 -10.702 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -4.324 9.180 8.948 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 3.635 2.665 -6.285 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 3.304 4.721 -9.102 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 3.028 1.234 -3.961 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 7.571 0.925 -3.023 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 -16.301 20.874 -9.811 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 10.244 17.359 -2.146 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -0.151 -3.338 0.728 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 1.255 7.017 -0.350 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 10.142 5.640 -9.610 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -4.448 -0.499 -4.486 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -13.874 -19.911 -33.437 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -18.508 -20.885 25.441 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 -3.778 3.291 0.563 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 3.944 15.586 -12.820 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 25.522 -11.917 8.432 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -3.604 0.670 -0.887 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -32.475 4.957 -13.970 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 0.016 3.714 0.274 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -6.156 1.006 7.781 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 -3.595 -8.000 1.451 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 -13.728 -4.312 15.254 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 2.676 -0.488 -2.840 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 2.380 -3.264 -0.183 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -2.147 1.538 -11.258 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 -1.920 6.426 -0.186 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 -0.443 4.206 -3.419 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -6.071 5.964 2.431 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 5.431 -4.021 0.297 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 6.735 2.246 -12.876 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -4.267 -3.676 -5.078 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 1.858 1.008 -2.276 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 2.928 21.015 -0.985 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 -7.882 -3.335 -18.493 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -3.037 3.413 9.902 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 0.251 9.309 -4.082 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -1.418 -9.550 9.643 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -2.534 -0.142 -3.538 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 13.416 -2.553 -10.303 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 0.656 9.597 3.618 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 1.605 5.262 -2.378 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 19.635 -2.826 0.596 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 1.396 7.516 -8.726 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 1.650 -3.398 4.735 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 -4.638 11.844 20.792 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 5.694 -10.577 -3.030 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 6.451 -2.818 3.487 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 6.911 -8.914 -11.958 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 1.619 -1.975 -5.280 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 1.500 -3.972 5.606 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 6.976 -5.768 -10.776 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -5.884 7.827 4.565 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 2.389 2.946 -0.274 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -4.152 17.567 47.062 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 -17.433 6.191 6.043 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -1.508 0.849 1.949 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 -14.541 -10.631 8.709 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 14.060 17.719 -19.650 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 -5.116 1.545 0.792 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 -1.978 -6.597 -10.482 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 0.987 -11.278 -24.782 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -2.915 -6.489 1.304 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 2.025 3.942 4.717 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 -2.374 -3.815 2.260 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 -2.610 3.813 3.930 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 -2.653 3.646 -20.533 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -7.538 -14.763 16.253 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 -4.804 -2.460 3.947 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -0.741 9.865 12.646 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 -25.814 15.855 -8.482 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 -6.427 -2.650 3.988 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -0.197 14.839 13.471 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -8.864 -9.984 4.181 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -5.914 0.552 -0.714 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 -9.749 1.155 -17.815 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -8.964 10.590 7.331 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -4.475 4.990 5.729 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -9.237 -4.458 16.690 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 -19.927 1.098 12.146 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -7.250 4.121 -11.209 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 1.591 -16.855 -22.399 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -9.478 11.303 -26.909 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 7.419 3.408 -0.192 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 19.831 1.111 15.192 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -9.626 -12.298 0.571 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 5.255 -2.902 -0.364 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 8.500 0.024 0.147 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 0.920 -6.732 4.179 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 1.759 1.915 -4.229 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 -9.464 -2.371 1.492 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 29.905 13.962 7.652 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 0.783 -1.830 5.291 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 -6.074 -25.323 17.666 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -18.696 26.782 20.335 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 -0.624 -1.707 -1.190 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 12.899 -19.589 -5.277 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 2.028 -9.460 -17.136 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 1.059 3.595 6.103 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 6.442 13.486 3.006 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 0.243 23.321 -1.890 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -5.716 -5.118 3.501 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 1.528 -10.910 23.556 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 2.953 -20.357 12.100 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 1.219 -4.084 1.814 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -2.272 -2.198 5.427 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -20.165 15.637 19.816 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 3.110 -2.909 0.732 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -0.965 -6.205 -3.096 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 32.755 -15.414 6.979 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -5.014 1.578 1.832 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 25.185 8.286 15.736 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 11.177 -7.665 9.332 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 7.317 -3.880 0.854 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 8.229 1.647 0.088 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 0.657 -5.805 -6.484 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 0.549 1.759 1.597 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 4.067 4.008 -15.322 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 -10.151 -4.916 43.424 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 4.423 3.681 2.857 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 12.481 -5.099 -11.067 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 17.734 6.562 13.672 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 -3.365 -2.139 -2.995 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 -10.112 -15.946 17.295 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 3.623 -17.313 -12.882 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -3.632 5.267 2.709 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 0.536 0.518 -6.707 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 -3.268 7.120 8.537 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 -3.348 2.532 5.127 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 9.077 32.358 30.488 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -27.171 -13.845 2.557 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -3.353 -1.861 -5.232 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 2.880 -10.002 -16.943 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -7.979 2.104 2.729 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 7.273 2.601 1.190 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 15.057 2.964 -26.880 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 30.117 0.911 12.824 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 0.112 0.532 3.125 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 13.541 -4.170 -15.736 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 1.301 4.464 4.264 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 0.809 -2.237 1.157 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 -7.197 9.190 -0.482 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 -0.146 -5.646 0.636 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -0.673 6.484 -0.346 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 -13.524 6.758 -37.436 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 0.477 -3.805 -10.167 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -1.611 2.886 -1.939 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 1.920 -6.250 -8.590 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 14.658 0.168 -1.184 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 1.621 8.255 0.979 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 11.818 10.991 6.439 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 31.015 3.054 -4.935 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 2.107 8.033 -0.273 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 -7.303 7.827 -6.237 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 15.546 7.617 0.907 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 -1.092 1.977 0.903 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 12.807 -11.714 -34.732 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -2.900 5.586 12.943 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -0.232 -4.229 -2.729 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 0.385 12.495 5.486 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 1.218 -8.249 -5.251 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -2.055 6.222 12.292 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 2.063 9.342 19.375 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 13.806 -2.937 -1.261 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 -3.047 -3.155 -5.406 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 -6.717 1.475 -8.603 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 -5.336 -8.439 -1.186 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 5.078 -1.973 0.990 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 -4.020 2.126 -2.982 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -6.596 -10.564 0.764 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -0.451 -1.733 2.343 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -11.457 -0.439 3.062 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 -15.038 -7.070 -7.257 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 5.108 4.848 6.525 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 11.507 11.644 -15.609 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 17.145 14.746 13.899 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 0.367 -4.113 6.368 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 14.806 0.410 -0.010 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -0.949 7.430 15.349 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 3.323 6.581 1.579 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 0.455 -5.705 -14.620 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 -2.904 3.257 -3.301 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -2.007 2.380 -6.667 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 9.372 -8.883 -5.409 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 -17.579 5.157 -17.851 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 -0.985 0.001 -1.825 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 2.244 -0.403 -4.469 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 -14.621 -0.093 13.431 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -5.054 -2.891 5.372 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 -11.032 -15.998 -13.737 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 -15.556 5.519 14.228 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 0.957 -6.506 5.754 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 1.403 1.274 -7.653 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -19.462 -6.833 24.781 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -0.926 3.093 -2.042 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 1.644 7.860 -6.049 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 4.292 -1.304 12.860 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -0.194 0.103 -4.085 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 13.872 -12.637 8.835 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 11.444 11.087 -18.687 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 2.020 3.564 0.868 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 13.251 10.657 5.073 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 12.407 4.403 2.113 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 10.616 2.213 -5.416 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 2.492 6.306 -4.874 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 17.878 8.550 6.719 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 1.073 3.569 -5.335 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -11.840 11.213 -14.198 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -3.356 -10.752 -30.181 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -4.673 -7.888 2.901 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -10.222 -4.230 7.265 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 2.123 -4.618 6.928 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 2.584 2.618 0.810 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 21.133 -9.936 -12.372 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -7.141 2.698 17.690 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -2.017 0.227 0.710 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 1.742 -12.234 4.045 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 7.771 5.450 8.581 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -0.051 -2.399 1.952 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 4.508 8.252 4.163 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 -10.952 -1.745 10.527 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -2.155 -6.962 -8.637 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 -5.018 23.968 -4.530 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 -21.601 4.797 1.495 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 0.240 -4.256 3.784 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 -11.431 11.921 -1.568 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 1.201 -5.750 3.764 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 2.003 -0.750 2.644 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 8.722 16.678 -3.816 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 2.139 -3.889 4.796 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 0.582 1.832 7.196 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 -1.103 3.274 -12.891 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 1.888 11.177 -4.907 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 0.596 -0.606 6.788 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -9.205 1.745 -4.826 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 2.292 -21.992 13.474 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 0.776 -3.851 -2.357 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -0.952 -1.764 -6.122 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 -11.701 2.751 -0.902 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 2.243 2.732 -7.907 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 2.584 10.956 -15.779 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 -0.472 5.289 -7.439 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 -0.612 -1.962 -7.584 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 -6.035 -2.339 -11.722 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 2.171 -8.341 -1.415 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -0.899 -8.682 0.365 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -8.784 2.593 -0.616 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 -0.209 -6.288 1.851 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -2.073 2.357 -0.912 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 2.769 -6.027 -3.202 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -5.664 6.719 -9.331 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 0.787 2.370 -4.336 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 0.859 4.541 1.031 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 8.598 0.410 -1.739 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 -5.233 4.510 -0.140 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 3.013 -12.452 -14.364 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -4.529 11.339 0.881 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 3.639 -4.009 -2.527 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -3.309 -0.507 1.857 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 4.076 -11.548 -1.127 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 0.548 -2.572 -2.895 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 -6.550 -4.778 2.310 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 1.033 3.539 5.554 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 4.932 6.713 -4.692 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -8.626 12.502 7.931 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 1.328 5.501 -5.226 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 2.120 -1.464 5.405 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 0.147 1.179 -4.570 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -0.260 -0.804 -3.195 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 2.036 -0.123 -2.164 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 2.413 2.413 5.557 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 15.366 16.030 32.619 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 5.561 -1.647 0.435 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 16.943 3.191 -4.687 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -1.458 -5.711 -17.709 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -4.829 0.869 5.149 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -1.849 1.456 10.826 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -8.161 0.052 -6.812 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 1.494 -0.174 7.130 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 7.449 6.246 3.512 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 -4.453 14.834 6.896 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 0.187 1.462 5.504 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 0.047 4.508 9.062 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 -10.170 -6.653 -18.181 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 -5.687 -1.248 4.630 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 1.030 -3.034 -0.650 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -11.390 -16.339 4.893 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -1.499 6.350 8.706 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 -5.499 23.393 -7.142 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 -3.013 -9.189 -6.562 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 5.774 -0.195 4.147 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -0.017 8.600 -11.198 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 7.581 -2.654 8.688 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 1.651 1.378 8.735 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 3.040 11.697 2.314 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 -6.540 -13.013 8.278 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 10.333 -2.022 4.827 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 -4.604 -4.313 -10.416 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 -3.934 6.656 -18.415 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -1.675 -1.288 0.027 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 -4.189 -10.734 -10.560 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -12.528 5.137 5.393 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 0.318 0.182 0.959 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 12.237 11.805 8.399 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -7.653 3.070 -2.764 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 1.749 -1.469 -1.194 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 3.215 1.692 19.708 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 1.776 4.499 -1.076 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -4.612 -0.093 2.495 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 11.363 6.846 6.114 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 6.315 -6.816 -3.659 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -9.396 2.593 -7.102 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 -0.609 17.120 6.128 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -18.413 -5.314 -23.090 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -4.021 -0.588 -1.666 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 8.557 -16.944 -26.946 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -25.716 27.506 0.164 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 -6.159 3.655 -1.592 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 4.883 -10.095 -18.601 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 4.893 -0.210 -14.534 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 2.841 1.040 0.736 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 7.064 8.185 -4.663 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 9.389 -16.068 14.624 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -6.725 4.708 9.252 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 4.320 16.383 1.610 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 -13.497 10.381 20.623 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 1.123 -3.991 0.952 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 3.877 -8.127 -7.543 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -6.964 -5.217 0.361 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 -1.960 -2.831 0.028 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 7.206 -15.720 1.034 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 14.698 -27.894 3.022 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 -0.079 1.206 -6.236 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 -3.471 -24.903 -1.192 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 2.141 -13.826 3.866 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 7.449 7.932 0.896 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 8.835 8.501 6.227 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 7.663 3.343 -2.330 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -0.569 2.662 0.395 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 17.236 -6.686 -22.296 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 10.995 -9.156 -31.943 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 -0.144 -1.411 -1.432 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 17.663 -6.526 -8.774 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 -2.095 -0.798 -0.025 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 -3.654 0.763 0.911 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 5.648 20.973 10.125 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 8.847 -18.466 -9.753 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -2.363 7.103 1.548 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 12.317 22.377 -10.113 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 -11.302 10.958 5.291 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -7.729 1.084 2.919 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 -23.772 -25.411 -14.810 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 13.863 6.040 3.202 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 4.578 1.872 7.647 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 8.264 -3.372 7.875 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 2.836 8.583 10.865 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -0.787 -2.414 1.698 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -4.878 -8.309 -3.375 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 1.876 -10.363 -9.618 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 -0.691 -6.266 -0.684 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -7.083 5.690 8.198 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 2.109 -8.509 -25.606 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -9.406 -1.306 8.226 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -10.474 -13.802 3.206 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -1.745 -3.224 16.653 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 6.725 -6.433 -3.126 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 11.684 18.181 19.742 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 -16.996 14.444 -14.048 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 -5.265 1.250 2.267 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -15.067 1.211 7.951 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 19.682 -12.962 1.219 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 -1.823 -2.813 -3.455 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 21.676 -29.640 -14.467 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 2.489 24.373 -24.127 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 4.173 -6.377 -0.915 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 -0.354 2.522 3.285 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 -19.073 24.697 9.001 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 -1.038 3.751 2.679 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 18.082 2.502 28.981 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 3.383 10.694 4.258 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -0.145 -0.498 1.953 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 24.840 -6.754 -20.929 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -11.656 16.639 12.091 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 4.237 -1.658 8.951 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 20.804 3.623 7.790 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 -24.202 1.031 9.200 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 -3.624 -5.721 -2.920 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -9.162 0.837 -2.515 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 -3.851 -4.766 -3.260 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 -0.720 4.618 2.120 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 5.874 1.317 3.484 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 -18.651 -1.320 -1.361 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 -3.413 2.247 4.253 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 4.547 7.842 4.709 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 22.294 9.301 -1.922 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 0.339 -5.103 5.484 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -4.847 -10.361 4.202 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -2.024 0.484 8.668 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 -0.723 2.889 -2.260 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 -19.659 10.904 -21.380 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -7.066 -5.611 -23.673 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 13.663 -0.485 0.115 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 19.181 -15.034 -4.570 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 4.321 3.888 -21.978 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 0.766 5.531 -0.638 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -9.414 14.567 -1.154 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -6.860 -4.999 -2.241 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -4.131 4.414 -5.447 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 -18.986 21.018 -15.249 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 4.360 -9.621 0.386 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -0.944 -2.341 0.567 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 9.579 3.656 6.244 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 1.756 -0.462 2.406 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 1.810 -1.749 3.279 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 8.022 11.997 4.092 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 6.078 17.878 5.777 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 -0.603 4.134 -1.715 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 -20.777 -0.245 -0.583 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -5.791 -5.324 2.390 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 -3.267 1.193 1.574 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 1.997 -7.553 -8.785 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 -9.345 -1.169 -6.055 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -2.207 0.212 6.570 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 10.045 -7.031 -18.260 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 -31.283 -14.651 17.752 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -0.524 -3.336 0.764 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -10.265 -26.084 -5.382 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 -20.669 18.883 -10.623 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 0.833 0.441 -0.542 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -0.088 -2.934 5.759 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 7.787 -9.721 5.774 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 -1.485 0.400 2.947 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 -1.837 -5.065 4.332 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 2.147 8.972 -5.064 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -2.595 3.599 6.650 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 1.831 -4.393 -8.183 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -0.490 6.788 -14.112 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 -2.783 -2.607 3.061 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -29.438 9.151 -6.577 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 0.868 -0.583 -3.192 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 -3.019 -0.822 -1.043 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 14.733 7.921 -8.268 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 9.862 6.514 7.114 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -6.285 2.223 6.245 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 12.404 33.936 -2.973 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -15.946 -7.138 -14.054 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 -6.213 4.222 0.570 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 0.192 12.131 -8.563 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 3.213 -9.533 20.687 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 -3.213 -2.105 9.437 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 -3.805 7.142 9.078 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 -8.084 -3.730 18.434 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 0.138 -1.874 4.527 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 3.577 -2.164 0.395 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 13.915 6.980 -7.047 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 1.778 8.498 -0.589 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 21.531 2.150 0.321 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -9.932 3.792 16.424 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -3.068 0.782 2.118 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 -34.696 42.200 3.390 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 -11.028 11.999 0.257 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -2.660 -3.940 3.206 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -11.816 23.029 13.935 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 -11.370 2.218 -20.387 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 -1.270 7.000 -4.346 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 -4.417 12.862 8.813 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -5.018 19.674 9.014 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -2.950 2.792 -4.167 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 -7.537 -5.737 9.489 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -18.319 10.164 -11.769 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 6.818 4.260 -1.024 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 9.234 13.633 5.935 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 13.631 13.472 1.179 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 1.710 4.792 -0.971 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -0.466 2.288 12.235 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -11.612 4.473 -5.477 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 6.817 0.822 0.458 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 7.959 1.511 1.363 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 5.709 -14.290 -10.457 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 3.596 6.576 0.774 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 2.582 1.447 0.118 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -7.628 3.552 -19.573 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 0.917 0.354 -2.604 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -9.685 5.053 -16.025 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 15.718 3.652 -6.838 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 2.098 -7.379 4.384 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 24.014 -3.735 16.947 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -4.144 8.973 -13.563 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 3.166 3.534 -5.051 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 5.606 7.184 -9.689 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -0.545 9.966 0.010 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -9.044 -1.036 -3.068 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -4.895 -17.251 8.553 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 1.956 -0.247 7.202 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 3.523 -3.753 -1.137 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 5.062 -4.083 -11.714 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 -1.951 -16.629 0.418 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 2.684 1.088 1.950 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 -8.451 12.052 16.676 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 14.702 4.722 -12.193 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -0.168 6.929 -0.354 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 2.669 -6.428 8.894 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 -0.006 -2.560 0.926 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 -4.142 -2.482 3.645 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -9.564 16.742 8.509 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 -2.650 -12.557 10.465 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -1.015 1.502 1.470 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 -28.576 -6.041 2.455 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -1.865 16.930 -5.641 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 0.846 -3.861 -1.836 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -3.747 0.672 -10.245 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 -1.572 2.313 5.016 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 -1.555 -6.868 -2.740 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -0.300 11.368 2.701 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -10.033 0.252 -3.274 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 -1.192 -7.336 -3.725 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 3.483 -4.453 2.666 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 3.775 -3.439 5.706 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -4.782 1.254 7.290 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 20.429 -9.306 12.708 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 -13.395 -12.016 -11.351 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 9.265 -4.458 7.506 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 0.937 -0.573 4.485 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 3.115 -1.594 10.365 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 0.440 -5.169 -5.100 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 29.008 -17.139 13.074 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 4.186 -1.040 -15.035 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 2.886 -3.325 -5.621 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 6.245 26.349 -15.971 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -5.352 -2.663 -19.193 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 0.381 3.621 -8.978 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -17.565 -1.781 -0.027 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -7.194 1.734 -12.096 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 1.297 2.403 5.509 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 1.315 -8.449 2.360 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 -3.471 -4.836 -3.825 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 1.151 -5.859 -0.993 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -6.046 10.501 -4.292 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 15.390 -7.064 -11.487 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -7.373 4.109 -3.498 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -12.401 -6.349 -11.173 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -12.227 -1.883 -8.760 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 9.412 6.311 2.935 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 11.951 9.918 7.642 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 -6.628 -0.381 6.339 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -4.818 2.906 -1.612 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 3.713 9.112 -8.645 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -7.303 -8.445 13.294 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 7.186 0.532 4.992 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 -23.441 -11.292 16.260 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 0.181 5.770 7.703 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 -10.179 -1.435 -3.036 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -10.586 9.163 5.226 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 -15.080 -13.504 6.274 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 5.379 2.940 4.263 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -10.840 -13.953 29.372 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 7.923 2.516 7.229 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -0.328 -3.424 -2.436 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 15.032 -6.341 5.785 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 8.151 5.594 0.676 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -1.769 -0.312 -3.932 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -7.889 4.027 -5.045 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -7.007 4.006 -4.476 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 -4.083 4.412 4.178 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 -8.465 6.286 4.168 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 11.079 -2.300 0.275 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 3.742 3.400 1.580 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -0.485 -8.793 8.156 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 5.923 4.855 -1.606 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -0.890 -1.855 -5.680 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 9.033 -7.852 -0.525 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 3.446 -4.042 -3.312 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 -2.603 -1.778 -0.187 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 15.704 -10.832 4.257 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -1.072 0.093 -14.489 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 -5.069 -7.022 -2.492 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 -16.417 -5.147 -4.665 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 -28.778 -6.842 -13.461 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -3.413 9.984 2.899 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 28.239 17.899 1.199 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -15.734 31.770 -16.048 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -1.175 -2.718 4.374 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 -12.224 8.101 0.217 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 8.779 -2.811 10.932 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -3.414 5.712 0.370 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 -9.954 -2.848 8.357 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 -17.983 9.248 2.528 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 -4.065 5.833 -0.058 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 10.339 24.232 -11.335 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 13.601 -8.701 0.180 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 -1.342 0.242 -3.050 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -4.595 -4.509 -4.340 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 13.170 -30.751 2.725 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -1.172 -0.881 2.748 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -1.331 0.450 -0.557 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 10.184 12.979 9.415 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 0.897 2.576 6.592 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 9.266 -15.801 8.895 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 -8.636 9.011 2.157 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 4.148 3.194 1.964 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 16.668 11.097 12.225 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 2.750 1.483 0.196 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 3.329 1.342 -1.608 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 1.289 3.445 -2.048 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 -13.894 -9.749 3.311 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -2.317 7.813 -3.629 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -3.641 28.771 13.841 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 -3.247 18.980 5.398 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 3.542 3.346 2.568 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -3.169 -0.647 9.332 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 15.924 -3.183 2.512 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -0.271 -0.552 3.279 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 -15.898 17.203 -2.622 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 15.022 -17.478 6.507 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 5.649 4.558 9.707 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 29.520 5.637 -8.519 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 -9.528 28.461 3.964 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -3.340 -7.176 -1.734 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 17.496 23.581 -19.193 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 12.048 -23.117 12.218 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 -2.829 2.922 2.693 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 -5.394 3.529 1.870 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -2.152 5.248 0.715 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 0.518 0.083 -1.805 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 -13.121 -7.386 2.330 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -6.863 12.337 -6.302 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -1.900 -0.830 -6.342 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 5.879 20.962 2.694 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 6.579 -3.940 -4.055 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 3.883 -3.794 -3.456 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 3.864 -3.025 -4.256 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 13.705 10.976 -9.868 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -1.559 -5.375 5.948 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 13.118 5.970 -13.135 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 13.039 -9.078 3.656 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 3.428 -2.701 -0.066 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -4.114 11.232 -3.576 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 2.917 -1.688 3.992 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 -1.068 0.094 -4.799 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -5.596 -13.343 3.300 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -2.592 -4.805 -4.850 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 1.609 6.054 0.324 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 4.765 -11.934 -2.278 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 -1.017 6.986 0.561 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 5.440 4.449 3.912 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 5.386 -20.434 11.148 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 4.001 15.269 23.492 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 2.745 -5.202 1.394 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 5.292 -9.750 14.604 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 5.937 -8.382 9.421 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 7.503 1.186 -4.960 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -14.899 -5.876 17.069 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 -14.012 -22.530 7.593 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 2.197 -6.676 -5.067 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 -3.176 -11.570 -5.806 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 6.422 -9.109 -0.172 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -4.879 -1.203 1.701 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 -6.998 -5.791 4.516 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 -1.014 -3.158 -0.898 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 6.302 0.854 -1.057 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 -12.981 -15.882 -9.014 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -1.542 -3.735 -11.136 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -3.681 0.179 -1.036 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 12.974 6.306 -8.373 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -7.918 -13.539 -10.177 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -3.240 -6.919 1.857 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 -2.466 -6.687 3.196 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 2.048 -7.823 4.671 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 2.177 -3.195 -2.276 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 -1.760 2.971 5.097 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -12.576 -12.183 -20.178 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 -2.479 0.018 -5.339 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -10.983 10.313 -5.442 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 1.703 -4.965 -4.863 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 -5.854 1.276 3.305 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 5.168 -1.942 2.978 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 -11.073 4.299 -9.818 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 -3.395 5.382 -1.395 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -12.794 27.721 -1.116 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 2.107 -7.136 -2.005 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 8.823 0.465 -1.593 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 16.220 -9.102 6.226 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 13.791 2.927 -9.723 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 3.704 0.692 -5.014 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 3.032 25.893 26.277 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 2.813 -4.000 1.581 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 -2.613 -3.650 0.178 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 -12.356 -4.752 5.206 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 1.078 -6.983 7.591 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 2.120 -11.145 -0.326 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 4.615 22.163 -14.945 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 4.965 -16.458 -10.997 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 7.778 -2.115 -2.205 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 -4.323 7.052 11.706 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 5.154 -6.791 -3.923 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 1.431 -3.217 -3.420 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 1.837 -24.889 -9.831 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 -1.886 4.890 -13.748 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -2.089 -0.045 -0.519 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 -0.618 -10.440 7.160 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 -22.561 -1.424 -1.798 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 5.274 7.980 -3.203 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 4.261 4.289 -0.687 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 3.550 -5.715 -0.052 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -0.256 0.524 -2.064 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 -3.257 12.524 5.188 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 14.547 -8.071 -9.749 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 2.572 -3.952 -2.439 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 27.716 -14.616 9.729 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 -11.743 -22.094 -19.538 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 2.430 -1.976 -8.236 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -4.185 10.235 15.412 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -6.825 -27.303 -4.919 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 0.722 0.921 -3.591 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -0.980 2.527 1.990 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 4.201 -1.570 21.148 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 5.016 -1.108 4.215 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 -10.810 6.418 -6.049 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 12.727 -6.777 -1.051 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -1.683 3.466 -5.392 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -2.135 -5.761 10.974 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -18.145 -10.509 -4.224 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 2.997 3.758 6.330 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 10.753 5.303 13.234 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 -5.364 6.619 5.557 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 5.312 -1.685 -0.690 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 6.663 -9.134 -13.559 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -9.881 12.123 -2.667 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 0.394 -3.345 3.718 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 8.095 -33.618 -3.505 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 -1.914 14.063 10.185 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -4.273 -8.407 2.986 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 21.446 -5.778 -2.793 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 -13.170 -3.851 -14.205 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 -6.354 1.455 3.542 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 -6.654 -18.123 3.228 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 5.682 9.167 17.170 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 1.210 2.069 -3.197 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -20.387 1.189 -12.977 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 2.061 14.289 13.001 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -3.493 -0.766 5.807 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -31.026 14.864 13.558 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -19.866 13.180 -10.592 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 0.369 1.099 -1.281 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 5.841 -20.252 -6.641 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -23.038 -28.997 -3.866 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 0.557 2.901 -2.875 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -10.816 -12.784 -14.415 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 2.322 11.843 -10.306 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 3.525 -3.953 -3.916 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -11.194 0.733 9.214 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -6.271 -26.638 -2.358 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -7.214 4.121 0.447 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 3.953 12.261 8.279 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -2.567 6.930 4.048 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 -1.876 3.327 6.825 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -35.578 20.029 -9.084 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 21.133 -0.613 14.102 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 -3.777 -4.701 4.179 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -1.896 -14.720 7.810 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 15.166 17.752 33.003 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -6.549 -0.683 1.909 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 10.248 -0.004 0.371 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 14.980 -0.286 -0.031 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 3.762 -2.648 2.826 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 3.682 13.948 6.713 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 5.253 -8.882 1.178 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 1.473 -4.561 -2.151 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 -1.582 1.752 -2.878 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 -5.144 -15.264 0.369 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 1.067 -4.257 3.366 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 33.674 -20.737 1.483 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 14.646 -24.306 6.937 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 0.155 -1.245 8.068 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 -7.261 -10.198 11.171 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 5.587 9.224 0.760 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 1.405 -8.969 -0.687 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 5.204 1.628 17.500 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 2.484 -26.487 -10.535 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 -0.925 -1.606 -8.367 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 6.729 -16.221 -26.103 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 -9.553 12.066 5.828 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 -1.267 -2.182 -4.244 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -6.484 -0.124 -8.936 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 -6.229 3.690 -4.984 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 1.470 0.441 -1.738 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 2.507 -12.770 16.747 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -38.049 -9.063 -8.942 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -4.425 3.064 -7.332 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 -11.352 -4.746 -8.180 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -2.300 10.208 -11.293 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 0.576 -6.868 0.966 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 -1.349 -8.274 6.923 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 5.042 -4.790 -9.053 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -0.352 7.363 3.366 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 6.421 12.483 -12.430 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 5.349 11.382 8.298 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 1.217 0.320 0.926 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 -2.180 13.001 -8.961 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -5.011 -15.888 -1.993 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 3.000 -4.986 -5.118 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 0.979 7.190 -0.852 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 2.403 -0.556 -16.318 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -5.145 0.308 4.312 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 -8.528 5.219 12.317 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 2.144 6.172 -6.605 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 1.726 -8.737 4.708 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 -0.361 -1.422 2.079 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 3.954 -9.883 5.502 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 0.913 1.542 2.715 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 7.016 -9.679 0.977 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -1.624 -8.181 4.032 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -2.255 0.600 -3.125 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 7.762 3.745 22.576 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 -14.946 -6.050 -27.063 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -6.611 -2.578 -2.747 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 4.380 -6.017 5.461 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -12.741 1.489 2.519 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 6.784 -3.848 -1.418 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 0.864 15.161 2.567 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -0.095 -13.651 -5.688 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -2.212 0.189 -7.781 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -3.471 5.351 -14.876 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 -2.064 3.752 0.439 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 4.749 -8.054 -0.648 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 7.318 -5.632 -1.497 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 -6.619 -2.697 -3.078 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -5.628 -1.232 2.655 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -12.953 16.950 0.914 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 -7.007 1.884 2.115 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 2.006 1.972 2.607 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 23.296 0.828 -3.192 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -10.596 4.573 6.473 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -5.306 -1.865 -5.747 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 21.964 7.273 5.919 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 12.730 8.066 24.218 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 1.129 -2.002 -8.152 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 4.595 -7.191 0.720 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 8.678 -13.547 11.028 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 2.681 -1.224 -1.648 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 -18.708 -12.036 14.901 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 11.439 4.295 18.990 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 4.171 2.603 1.680 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -6.000 16.653 -15.056 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 2.745 3.721 7.120 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 -0.806 -1.854 1.852 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 25.387 36.810 -13.026 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -9.880 -27.088 24.969 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 2.219 -8.023 7.008 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 -11.394 22.853 -25.507 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -18.056 6.014 -5.252 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 0.373 5.158 1.816 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 1.491 -1.037 0.771 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 6.076 4.975 0.882 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 -2.084 6.265 -2.514 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -26.254 3.390 9.809 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -19.680 5.609 -1.036 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 0.289 -2.401 -5.248 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 2.768 -7.225 -21.762 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 8.636 16.593 -5.608 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 2.713 -2.035 2.761 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -7.320 1.253 19.971 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 9.351 -12.421 -10.664 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 3.853 3.036 3.233 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 1.842 -7.814 -4.315 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 13.109 -22.580 11.630 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 -3.372 0.546 -3.269 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -8.937 4.584 17.256 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 -10.872 -21.073 10.172 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 4.467 -6.100 -3.137 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 -2.322 -16.534 -14.658 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 9.927 1.363 6.958 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -2.716 -2.023 1.618 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 17.490 4.737 7.938 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 -10.004 6.598 -5.130 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 5.060 2.827 0.140 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 19.268 31.476 1.098 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 4.073 -25.721 3.783 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -2.937 -0.759 2.488 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 8.099 2.161 -1.008 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -11.155 2.428 10.214 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 1.865 0.882 5.769 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -10.003 6.097 17.768 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 17.524 -11.863 10.728 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 0.774 -4.297 -0.794 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 -3.542 -1.376 9.757 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 14.268 7.037 -28.920 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -3.546 -1.883 2.001 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 0.193 3.884 11.433 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 3.507 -0.042 12.942 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 0.117 -1.652 0.944 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -9.889 -11.411 -0.014 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -15.638 -6.755 9.824 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 0.346 3.672 3.845 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 -29.069 31.053 11.590 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -3.258 -35.066 -2.999 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 10.285 -2.514 1.098 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 -4.880 -5.047 5.605 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 23.893 -2.652 -9.125 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 3.742 4.141 -1.016 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 34.258 -4.289 -10.129 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 6.139 3.116 11.216 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -0.241 5.088 -6.086 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 -3.306 2.125 -16.141 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -14.005 2.641 -11.757 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -4.743 -2.566 -6.349 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 29.062 6.916 -1.908 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -11.445 -4.783 -11.172 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 3.297 3.191 0.942 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -3.591 6.844 -10.191 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -12.916 8.368 -16.675 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 0.448 -4.023 2.836 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 -14.534 11.315 31.031 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -29.017 -24.307 4.119 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 6.655 -7.379 -4.019 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 8.237 -3.063 -10.481 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 5.665 -3.144 5.097 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 -0.458 -0.021 -1.446 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 13.912 10.547 -0.037 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -9.739 -6.526 -2.256 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 -0.900 -2.638 0.896 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 6.431 3.389 -14.482 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -13.305 -6.021 8.345 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -5.726 3.528 -2.866 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 12.716 -9.442 15.719 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -11.903 11.829 -18.562 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 0.347 -2.760 1.623 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 4.139 -3.019 2.646 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 -0.934 -9.601 -5.872 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 2.268 -5.329 -3.782 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -6.772 -17.011 3.822 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 -6.435 0.589 -7.328 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -1.716 -2.824 4.258 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -5.914 4.921 4.003 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 1.489 5.291 7.107 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 -2.497 -4.582 -2.480 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 -11.923 5.582 5.063 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 12.015 -12.982 -2.663 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 4.549 1.973 0.380 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 27.021 -17.975 2.150 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 -6.707 4.320 -19.306 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 0.085 10.201 -6.509 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -0.478 -8.561 -13.240 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 -2.164 -18.145 -15.545 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 2.042 0.676 1.035 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 21.294 -6.140 13.318 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 -23.299 20.738 9.856 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 5.294 3.574 4.287 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 15.421 6.404 8.594 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -0.088 1.962 1.175 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 -0.231 1.934 -0.399 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 -15.819 11.466 -10.183 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 13.614 2.643 11.106 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 -11.103 5.132 2.612 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -9.935 1.412 -13.898 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 -5.955 -5.581 -10.597 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 1.339 -0.230 10.561 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 -4.019 -5.360 9.159 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 -11.429 4.676 10.357 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 -0.243 -4.066 3.409 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 3.298 -5.039 -0.868 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 6.942 3.831 11.510 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 5.557 -1.123 4.990 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -2.114 -8.273 6.341 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 6.362 8.663 13.329 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 5.540 0.398 6.606 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -3.267 4.818 5.678 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 6.908 -0.323 6.428 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 -2.822 1.583 0.716 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 -13.481 -17.965 -16.017 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 29.122 -0.689 8.812 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 5.399 -4.507 -0.076 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 11.244 1.153 15.788 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 32.882 -6.652 0.053 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 2.870 2.328 1.237 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -2.268 9.872 0.544 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 1.863 12.410 -5.022 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -4.650 2.422 1.806 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 -7.517 2.580 10.904 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 0.289 12.681 5.119 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 2.615 -1.273 0.913 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -1.526 -10.012 -16.504 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -0.540 11.511 -15.180 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 -5.530 0.438 -1.164 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 -2.073 -14.162 9.128 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 -6.083 -5.694 -14.777 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 -2.259 -1.060 1.876 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 5.598 6.751 7.324 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 -10.437 -5.044 -0.915 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 -4.016 12.725 0.616 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 9.532 2.098 9.872 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 -3.045 8.445 -1.123 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 9.239 5.089 2.104 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 12.615 -8.029 1.700 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 17.806 10.929 4.407 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -4.159 -0.056 -10.862 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 -13.836 -37.541 -23.756 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 16.061 6.687 -1.700 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 3.041 1.611 -4.171 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -12.735 17.976 -7.581 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 -6.160 15.224 -21.228 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 3.892 0.014 2.070 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 11.432 8.089 10.239 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 24.429 -4.021 7.439 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 3.529 1.348 -0.002 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 12.126 -1.383 0.316 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 8.559 -1.083 -0.557 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 1.615 3.168 -1.277 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 3.070 -15.560 -1.333 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 13.032 4.137 18.383 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -1.585 1.529 6.897 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -7.545 1.486 2.278 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -11.746 0.401 2.510 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 -0.303 6.411 6.030 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 2.870 13.862 -0.642 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 -2.629 6.758 -1.213 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 0.523 1.801 8.202 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 16.200 -7.141 10.958 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 13.754 15.307 30.631 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 3.384 -2.616 5.744 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -9.280 -7.157 6.164 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 6.926 12.116 5.917 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 -1.957 2.579 1.390 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 7.238 8.390 -7.933 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 7.447 13.309 -12.080 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 -3.670 -4.122 3.249 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -18.395 -1.420 -20.419 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 -2.572 5.304 9.044 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 4.978 1.068 -4.681 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 -0.246 -11.431 3.098 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 12.652 19.835 -16.007 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 0.384 2.451 1.398 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 0.984 10.725 21.841 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 9.466 -19.596 -19.793 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 2.235 -1.653 2.828 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 6.135 10.973 0.858 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 0.914 -9.848 4.865 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 0.704 -2.597 6.750 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 1.486 -6.035 -7.352 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 -2.189 -8.871 16.333 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 3.505 -4.174 -2.473 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -4.951 8.130 6.128 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 -4.170 -19.375 1.096 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 14.670 -0.183 5.545 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 6.359 10.612 11.296 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 4.002 -9.254 0.106 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 4.430 3.748 4.525 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 0.379 -2.130 9.330 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 2.998 -7.749 3.166 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -3.826 3.843 -1.502 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 16.478 -2.424 -28.487 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 5.455 -6.468 10.927 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 3.080 -0.367 -2.649 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 4.754 -25.647 -3.858 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 20.243 -14.298 2.932 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 0.261 5.423 2.886 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 0.101 -11.314 -7.958 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -6.434 -25.991 -7.222 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 2.669 0.095 -1.397 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 -4.378 -17.818 0.326 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 24.178 5.444 -6.359 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 -4.506 -0.132 0.541 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 1.758 -7.818 13.866 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 11.341 -20.504 9.966 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 1.213 -1.088 -4.035 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 0.616 -8.855 -4.504 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 3.967 20.802 -2.433 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 2.309 -0.353 2.206 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 -4.392 12.303 18.520 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 13.446 12.069 -10.119 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 2.197 4.311 7.191 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -20.158 -12.288 23.758 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -9.988 20.781 -12.896 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -2.830 2.620 -3.653 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 8.756 0.198 -16.398 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -22.217 10.034 9.762 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 0.006 -5.928 2.730 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 0.960 -7.815 2.788 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 12.894 -15.883 20.412 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 -4.858 -1.471 3.794 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -14.792 28.790 7.192 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 0.136 -5.313 -17.140 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 1.970 -1.132 3.765 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 6.081 8.028 20.767 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 -18.222 -8.096 3.395 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -0.875 2.398 -0.483 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -7.023 -2.286 -9.230 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 -7.769 11.820 8.906 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 2.513 12.758 -6.369 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 13.624 9.131 -1.114 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 1.050 13.684 -22.249 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 1.852 -1.379 -3.154 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 -3.438 -2.863 7.989 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 7.895 9.618 -2.396 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 3.538 -0.509 -0.633 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 0.503 -14.719 -22.739 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -5.144 5.761 32.570 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -2.514 -0.083 0.789 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -14.871 13.023 -10.049 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -10.587 8.841 29.130 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 0.251 -1.888 -1.745 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 1.900 14.558 -0.918 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 -14.365 11.585 -3.612 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 0.643 -3.390 2.235 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 1.147 1.187 2.415 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 8.540 -8.569 -5.750 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 2.123 4.247 1.652 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 3.611 1.948 16.080 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 5.222 -27.357 12.668 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 -1.482 -3.991 -4.791 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 -20.641 -7.438 -9.935 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -7.991 3.898 1.282 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 7.043 -5.749 0.554 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 12.848 -9.607 7.512 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 9.476 -9.090 -0.881 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -4.667 -5.245 -7.321 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 -0.069 -12.071 3.861 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 -9.454 1.061 -1.331 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 4.521 1.146 -4.336 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 -5.240 -6.080 -2.669 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 18.031 -29.096 -1.664 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 1.667 1.334 -7.220 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -1.876 -16.667 -1.428 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 1.758 -1.872 -7.587 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 1.480 0.456 5.004 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -13.626 -23.604 14.740 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 15.316 0.559 19.014 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 -1.419 1.100 -4.007 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -3.873 9.133 -19.465 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 1.690 -16.670 3.491 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 -0.070 -2.840 0.563 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 0.695 7.164 -3.802 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 6.056 12.109 5.812 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 -2.522 -5.005 8.244 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -2.481 -14.057 10.874 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 6.254 29.360 1.418 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -0.307 1.911 -3.747 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 22.218 -9.460 -0.076 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 19.665 1.134 -1.203 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 10.105 -0.169 -0.853 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 -7.362 -16.267 -0.107 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 6.093 5.421 3.255 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -2.372 1.236 0.783 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 2.236 -5.535 1.755 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -0.879 3.660 7.377 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 -0.082 2.864 6.624 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -3.647 12.259 0.699 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -3.049 -6.425 -0.262 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -0.205 -2.918 5.093 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -3.037 -4.850 3.670 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 -27.516 -12.272 -5.938 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 0.015 2.032 -5.972 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -21.267 22.739 18.030 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 0.098 1.496 -12.383 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -6.157 0.057 0.119 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -2.548 11.983 6.357 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -3.882 -19.078 -3.604 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 4.825 4.685 -4.344 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 12.509 -5.824 19.960 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 10.006 -40.888 -0.036 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 3.669 6.502 0.762 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 6.527 22.459 -8.670 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 4.882 4.595 1.114 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 2.266 -0.382 -0.365 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 -10.133 0.383 6.953 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 2.743 -13.861 -8.297 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -3.154 -2.297 2.564 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 8.901 -24.329 -12.072 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -3.483 22.666 -6.387 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -2.199 -0.392 1.992 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 -14.893 12.093 -22.300 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 12.865 -21.426 2.081 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -2.508 8.904 7.270 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 0.910 1.085 36.427 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -8.539 21.994 -30.307 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -0.615 -2.663 8.978 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 1.595 2.742 10.264 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 5.136 -4.704 6.469 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 3.270 -2.963 4.902 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 9.509 -3.988 0.703 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 6.173 -1.877 4.711 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 -1.936 2.098 1.684 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -2.297 35.629 -6.431 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 -2.676 -4.562 10.740 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 -0.726 -1.579 1.305 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 -4.063 11.814 -1.102 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 -3.272 7.771 1.835 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -0.492 1.853 0.768 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -9.864 -17.306 5.257 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 0.640 4.189 0.517 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 5.916 -2.706 -6.400 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 22.473 -14.832 -0.854 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 6.502 -0.142 -9.579 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 -4.940 2.616 -2.743 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -11.535 -2.245 -1.990 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -2.843 0.453 -10.398 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 6.515 0.604 -0.804 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 6.237 -7.984 11.524 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 4.928 21.893 -12.576 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 -0.769 5.401 -5.615 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 4.912 3.494 -24.953 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 -15.195 -8.521 -11.614 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 -4.577 4.427 -0.661 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 7.772 1.445 -15.347 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -9.322 -8.352 -3.993 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -4.864 4.003 -4.196 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -5.432 29.366 -10.542 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -14.266 -10.585 -12.812 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 0.965 -2.011 -0.241 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 7.019 -12.761 -4.065 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 11.704 -1.190 7.803 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 -2.425 -1.017 2.430 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 -1.739 -5.438 -0.252 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 3.338 -1.403 0.011 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -3.322 -1.588 -4.296 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -19.122 11.875 7.608 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 4.068 -7.451 -10.149 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 0.552 0.441 0.784 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -14.265 -16.889 -8.737 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -14.606 -2.986 1.962 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 -9.308 -1.386 -3.779 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 1.009 3.698 5.829 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 29.399 -3.875 5.126 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -1.385 -3.685 2.327 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 -0.827 -8.473 6.488 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 -2.369 0.108 1.115 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 11.000 -0.561 6.590 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 -3.764 -5.244 13.158 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 12.746 -8.281 7.401 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 3.586 -3.474 0.440 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 -0.717 -6.662 4.464 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 -2.037 -1.823 8.920 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -5.813 1.816 1.809 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 -1.059 -10.348 -0.250 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -14.088 17.700 1.715 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 5.641 0.464 -4.529 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 4.223 -5.372 0.074 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 1.737 -11.403 4.726 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 6.497 1.779 -3.745 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 1.457 -3.211 7.422 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -1.626 -6.645 -1.392 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 2.752 4.816 2.285 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -9.585 -19.538 -22.422 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 14.037 -15.532 10.528 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 3.500 -2.185 -1.395 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 33.207 -4.375 -8.133 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 1.862 13.586 10.154 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 2.753 -5.864 3.613 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -0.032 -4.292 18.798 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 5.174 -4.109 -8.426 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 -1.346 -3.321 0.629 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -5.852 4.013 9.087 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 -7.116 11.973 20.015 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 -0.868 3.976 3.465 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 0.381 4.609 20.163 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -14.726 -5.791 1.468 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 8.696 2.247 1.144 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 9.379 -11.862 13.512 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 12.305 12.981 -5.463 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 4.747 2.334 -3.088 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 5.477 2.741 -6.431 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -1.689 -13.969 1.213 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 -6.846 7.034 4.230 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 14.043 -2.918 -9.796 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 7.973 25.383 23.515 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 2.944 -4.891 0.580 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -9.345 4.392 19.864 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 12.056 11.344 8.762 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 1.012 -3.440 3.066 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 -7.091 4.969 1.901 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 6.576 7.364 -1.527 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 -0.281 2.725 3.202 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 12.726 -10.809 -7.509 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 20.269 11.577 19.099 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 -1.653 5.169 -4.386 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 9.840 6.679 12.389 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 -22.471 5.298 18.598 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 2.690 6.751 -4.038 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 21.363 0.113 -4.701 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -8.209 -0.170 8.233 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 -2.301 1.769 -2.229 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 3.899 12.690 -14.773 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 7.753 20.310 -12.031 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 0.152 -4.530 -4.817 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -14.119 -15.427 -15.881 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -5.950 7.906 1.524 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -4.692 3.732 4.482 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 10.777 -3.376 -6.064 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 -2.486 -13.430 -0.136 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -3.698 3.909 1.595 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -6.561 -1.935 2.966 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 3.217 -10.682 -4.310 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 3.226 0.820 3.315 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -3.294 -3.692 6.573 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 11.323 -16.339 -1.017 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 7.271 2.779 -9.958 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 2.306 -31.346 -0.175 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 13.932 -2.575 -5.908 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 0.929 3.384 -1.403 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -4.257 -0.389 0.394 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 13.785 -0.876 -3.032 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 6.810 -4.512 -2.853 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 28.247 3.759 -13.985 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -18.350 8.514 -9.132 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -2.816 -11.476 3.355 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -8.753 -8.326 -15.409 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -7.016 1.530 -6.685 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 1.543 -0.291 5.548 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 0.388 -6.333 6.365 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 0.015 -12.776 7.533 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 1.759 1.088 7.571 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 2.500 13.413 -12.754 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 3.023 6.066 1.314 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 -0.936 -1.942 2.846 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 1.471 -1.647 5.213 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -0.947 -0.912 1.619 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 -7.452 -4.369 -3.052 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -3.212 5.376 -2.384 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -7.284 -8.817 7.367 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 2.676 3.312 -1.291 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -15.355 14.238 -13.975 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 14.439 -13.936 -14.482 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 -0.006 -3.619 0.484 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -10.022 21.573 -14.075 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 -13.802 -1.942 11.975 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 2.359 -4.361 5.116 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -8.481 2.211 -5.733 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 13.833 -1.801 23.586 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 4.989 1.630 4.281 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 -18.161 -2.179 5.325 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 -0.868 -9.756 -13.413 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 1.610 6.462 1.466 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 -1.121 18.544 -3.169 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 -8.684 -1.838 1.364 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 -4.447 -0.449 6.996 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 12.166 -18.979 9.414 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 11.751 -4.672 -28.126 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 2.348 4.434 -2.394 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 7.411 -4.776 -20.625 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -5.630 -1.628 -9.361 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 3.371 -1.221 -6.069 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -6.396 -11.316 1.094 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -4.453 13.222 -14.285 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 1.686 1.761 -0.488 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 3.474 3.151 1.270 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 3.281 3.267 -3.006 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 2.673 2.207 10.833 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 24.426 12.111 16.286 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 -4.314 23.500 13.979 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 -3.226 4.281 -8.490 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 21.094 -2.325 2.651 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 0.770 17.231 -10.881 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 2.513 4.256 7.139 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 4.526 2.504 -4.240 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 6.993 -2.979 -13.902 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 2.754 -4.546 -4.491 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 -6.704 -2.139 5.221 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 0.875 16.412 -18.088 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 -3.745 4.014 1.887 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -13.889 11.348 4.576 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -8.406 -5.621 -5.794 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -0.319 -1.655 1.671 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -1.060 6.267 31.590 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -27.985 -3.624 -14.848 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 -4.227 -2.753 -6.909 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 4.524 1.308 -10.887 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -5.894 0.955 -6.761 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 0.009 1.306 -11.129 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 1.741 24.654 -6.258 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 10.030 -11.186 20.141 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -1.300 0.486 6.032 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -1.000 -22.923 16.461 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 3.449 0.719 -5.561 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -0.971 3.038 0.400 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 -15.473 -2.565 22.065 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -6.858 -2.348 9.508 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 7.271 0.637 1.928 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 -4.056 -1.263 -5.069 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 12.722 10.357 -0.470 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 -8.572 -8.259 4.804 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -3.866 6.163 -3.161 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -6.493 -13.542 0.964 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 -2.796 2.433 4.010 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 21.718 5.671 6.288 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 -7.413 6.056 3.955 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 1.283 5.053 4.756 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 7.683 -10.200 -8.877 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 -5.023 -23.680 -30.490 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 0.110 1.333 -1.306 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 7.837 -8.115 -11.879 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -12.906 -4.458 3.435 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 4.178 -2.578 -6.006 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 7.226 3.476 -5.492 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -3.192 -20.163 -2.677 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 4.517 -4.211 -1.623 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 4.171 8.952 -13.295 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -5.208 -10.404 -14.461 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 3.841 -4.673 -0.717 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 12.573 -13.882 8.166 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -6.442 9.170 8.247 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 8.119 5.036 -8.601 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 -3.229 9.417 8.034 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 -3.117 -4.160 27.848 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 1.238 -4.256 2.492 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 13.945 -12.948 5.005 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -1.227 0.723 13.007 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 -4.389 -9.672 -0.816 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -1.674 8.441 2.217 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -0.995 -13.719 -0.070 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 4.595 -3.214 -5.542 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -3.476 -23.948 11.883 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 4.193 -16.987 14.319 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 2.766 0.364 3.745 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 -10.418 8.993 16.465 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 21.885 -17.439 0.717 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 1.920 -1.383 -1.922 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 21.944 0.053 -6.591 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 13.436 -15.732 3.896 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 -1.858 1.464 1.852 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 13.307 2.446 13.330 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 0.195 1.164 11.494 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 1.265 5.175 -1.606 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 -11.435 -3.937 7.704 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 28.627 -8.640 -13.723 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 1.202 -8.303 -6.522 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 8.297 -4.002 -21.355 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 5.743 1.233 -26.256 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -0.962 3.009 6.808 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 1.325 6.597 4.145 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 1.135 8.125 0.526 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -3.626 -4.656 5.643 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -5.740 3.951 20.037 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 -0.294 -12.688 6.796 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 -0.365 0.718 -0.160 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 5.044 -3.211 -17.074 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 19.435 -19.814 1.995 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 -9.810 1.303 -4.280 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 2.879 13.814 -3.535 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 -6.692 8.712 -14.276 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 -4.893 -6.357 -3.194 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -10.837 0.018 0.308 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -15.817 7.217 -19.042 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 6.724 6.039 -3.128 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 9.924 0.268 -0.354 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 -0.658 20.032 -8.881 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 2.322 2.699 1.132 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 10.706 21.120 18.432 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -9.005 36.103 4.368 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -1.181 -0.541 6.452 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -8.562 -1.210 8.267 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 3.899 33.421 12.684 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 1.937 3.164 1.684 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 27.052 11.327 26.114 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 7.582 1.542 6.835 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 0.632 0.135 0.153 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 4.078 -0.295 1.835 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 -3.634 4.171 -0.701 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 -2.646 -4.967 6.755 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -3.360 -9.343 10.097 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 4.781 -3.631 7.919 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 6.049 2.699 2.620 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 -5.805 -8.234 -9.091 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 22.284 4.059 -1.617 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 1.263 0.832 -5.515 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -9.054 -1.206 14.936 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 5.534 5.962 20.370 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 0.121 -3.524 -4.913 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 15.448 -7.805 -12.307 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 3.818 7.250 -6.769 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 5.787 -7.778 -5.311 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 16.639 5.842 21.727 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 -18.236 -8.518 -3.684 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 4.896 -11.864 -0.200 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 -12.804 -2.070 -6.729 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 -7.008 8.026 3.462 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 5.099 7.590 -7.495 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -17.814 -20.115 14.202 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 3.410 5.997 -43.739 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -1.942 -2.121 -1.822 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 7.561 39.744 -15.564 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 -10.979 -26.459 -1.034 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 9.019 -8.288 -1.387 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 10.096 -8.133 -2.775 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -7.069 -34.735 8.388 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 6.956 4.958 -1.958 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 3.902 -3.655 15.175 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 13.150 19.645 -14.949 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 1.698 -0.883 2.265 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 24.508 0.805 12.647 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 -4.412 7.983 5.118 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 -0.172 5.359 2.692 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 0.809 5.346 -4.235 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -0.162 8.623 19.558 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 -4.245 0.112 4.222 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 6.501 5.529 7.535 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -5.970 -0.937 5.343 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -2.639 -3.250 6.751 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 -0.409 2.364 7.460 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -14.917 36.010 4.383 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 5.645 5.821 -3.411 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 6.234 -1.136 -22.329 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 4.732 4.474 -18.905 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 -1.114 -1.361 3.002 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 8.123 -4.301 -3.213 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -1.440 -17.072 3.258 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -5.651 3.318 -1.806 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -12.356 0.122 -0.076 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -3.023 11.022 -0.697 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 -5.389 -6.916 -4.812 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 5.828 4.966 2.732 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -0.800 -1.739 -1.805 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 -1.596 2.534 0.184 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 -0.593 -11.383 1.442 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 17.034 -1.355 -6.435 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 5.455 -2.696 -0.461 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 13.031 -14.601 8.515 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 -6.496 16.829 -21.478 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 -3.140 1.199 0.151 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 10.130 -12.493 3.570 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 -7.231 -8.960 1.022 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 0.110 -2.824 0.910 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 9.641 -12.157 13.169 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 7.359 -0.051 -11.383 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -1.215 -2.454 4.114 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 0.895 -13.224 4.968 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 -1.967 14.657 -5.185 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 -0.132 -5.403 -4.873 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 1.773 -8.718 -16.626 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 11.413 -5.480 -15.135 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 0.016 -9.254 -0.370 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -0.049 2.502 2.891 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 8.134 22.824 -0.845 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 3.984 -6.974 1.372 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 20.072 4.091 -15.369 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -14.858 -1.409 -30.321 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 -6.585 -3.380 0.458 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 3.424 2.310 17.449 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -6.028 -3.246 -4.429 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 4.862 -2.453 -3.307 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 3.604 -6.370 5.117 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 14.935 5.672 5.340 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 0.204 -0.045 -2.583 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 16.731 -21.669 7.078 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -19.924 24.145 22.944 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -3.513 4.142 5.366 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 1.994 15.938 -22.460 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -24.978 -6.717 -2.427 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 6.545 -1.311 -1.949 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 1.759 -9.061 -25.116 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 -2.345 4.264 -8.296 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 -5.105 4.401 -2.242 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 -5.897 8.230 -3.721 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -13.140 -6.808 3.152 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -3.379 0.809 1.850 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 4.200 -1.902 0.789 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -14.293 -4.148 7.853 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 3.244 1.946 0.346 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 1.820 -18.408 -10.770 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -3.203 -3.544 -4.875 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 2.036 1.576 5.675 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -2.064 6.530 -2.493 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 11.788 3.179 -5.994 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -2.296 -7.242 -4.260 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 12.649 5.398 3.113 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 18.949 0.163 5.029 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 6.417 1.980 0.103 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 13.031 -21.987 13.672 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 20.713 0.539 -24.424 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -4.153 -0.419 2.593 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -6.725 8.877 -10.741 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 0.953 18.423 19.678 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 -4.470 0.256 3.587 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 -21.833 6.477 -5.892 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 -17.397 20.104 1.641 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 1.347 12.146 1.717 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -4.016 12.420 8.551 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 -9.025 1.426 20.088 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 -7.421 0.405 1.914 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 -16.128 -19.479 -10.913 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -8.799 -23.951 4.352 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -2.494 -4.694 2.270 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 -6.686 -21.322 22.885 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 -30.177 21.699 16.108 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 1.788 1.087 5.507 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 3.109 -20.101 22.210 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 -15.570 -14.898 -0.385 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -7.064 0.536 0.235 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -9.430 2.196 -1.861 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 1.131 0.084 2.008 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 3.485 0.385 -0.906 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 15.238 8.614 8.663 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 -4.713 -9.643 -0.595 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -5.158 7.781 4.540 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 32.085 14.961 -15.474 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 2.263 6.764 -13.171 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 4.398 -3.440 -2.566 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 -12.900 4.711 18.541 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -12.127 -9.446 -18.415 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 3.639 7.244 -2.471 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 5.324 11.279 -4.048 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 0.237 27.637 2.719 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 1.531 0.559 -1.407 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 17.299 9.271 -0.049 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -11.169 -6.527 -1.846 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 7.564 5.655 -1.115 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 6.456 2.477 -2.920 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 3.535 6.495 1.260 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 0.013 4.999 3.524 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 15.539 -6.084 1.951 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 -20.384 -8.525 9.579 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 0.114 -6.224 -1.949 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 -40.619 11.252 -2.138 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 5.837 -24.247 18.872 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -0.241 1.064 6.028 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 21.335 18.454 -4.904 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -11.638 2.136 10.178 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 -0.180 -0.659 4.110 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -3.182 -9.783 0.150 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 3.112 -6.049 0.214 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 -1.559 1.553 9.399 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -2.208 -4.504 31.078 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 -11.691 -8.293 3.163 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 4.738 -0.195 3.496 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 -20.657 8.110 0.286 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 -5.336 -10.691 -10.415 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 4.062 -0.815 -6.672 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 -18.372 -3.847 7.859 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 -5.678 -0.246 -2.013 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 -0.342 1.564 -6.465 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 17.564 26.624 -5.334 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 17.858 -22.497 -0.118 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 0.329 -0.323 -6.646 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 -18.730 -0.214 -12.295 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -14.157 0.644 -10.646 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -1.548 -0.968 4.342 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 -3.539 -9.465 -1.803 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 -29.025 18.180 2.027 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 -0.643 -0.414 0.450 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 6.057 -2.178 6.305 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -0.515 5.420 -1.864 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 -2.379 -1.385 2.516 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 -6.550 -0.069 14.975 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 6.378 6.233 -0.418 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 -0.133 -2.332 7.281 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 2.297 -11.586 7.945 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 9.682 2.130 5.288 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 0.221 3.416 0.770 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -10.936 23.563 8.341 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -0.325 -0.482 -7.051 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 1.288 1.446 1.923 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 41.993 -11.249 16.877 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 11.272 -9.589 4.002 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 0.073 -1.446 5.727 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 0.043 7.555 -2.659 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -2.159 -8.111 9.191 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -4.313 1.123 0.634 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 12.111 6.117 -9.989 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 -10.575 -2.836 7.603 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -3.072 -0.371 6.445 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 18.237 34.166 10.315 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 3.556 -18.291 12.487 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -0.436 -3.905 -2.311 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 0.701 -4.663 -5.176 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 10.349 -22.523 1.914 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -1.805 1.467 4.358 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -6.353 16.075 1.730 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -3.657 7.413 3.509 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 -1.121 -2.289 6.652 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 14.838 -2.497 -1.461 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 -0.171 12.449 -14.800 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -1.608 1.544 -5.851 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 11.399 8.883 3.716 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 -10.726 9.046 -15.256 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -2.103 -0.914 0.096 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 21.629 -0.018 -28.460 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -19.969 -2.412 11.602 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -3.380 -0.605 1.487 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -8.296 4.662 1.709 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 -0.833 3.760 8.428 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 8.716 3.224 -2.231 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 4.312 1.273 -3.230 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 8.797 7.443 -7.077 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -2.668 5.278 -4.711 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 -15.971 12.400 15.826 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -16.179 -16.799 -14.049 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -0.781 -1.154 2.136 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 3.797 0.351 -9.832 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 6.158 -2.549 -11.609 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 -7.144 0.712 2.927 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 10.608 32.190 -2.824 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 4.411 2.905 -5.502 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 1.749 -0.804 -1.995 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 4.757 -3.071 -0.656 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 4.079 10.414 -0.052 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -0.137 4.072 5.233 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 1.872 13.092 -4.056 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 1.554 14.616 -1.475 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 1.538 -1.811 -2.925 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 2.425 3.426 -16.507 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 3.446 11.306 -36.790 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 4.488 -6.623 -0.058 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 -8.436 2.609 19.573 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 6.497 11.706 -6.931 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 0.983 0.767 -3.551 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 2.468 8.709 -25.593 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 -2.989 -13.933 23.775 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 1.804 -5.657 5.640 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 -8.500 -15.075 35.508 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 -5.762 11.246 -2.175 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 2.159 -2.057 -6.972 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 -10.519 -11.679 -7.848 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -45.470 14.001 2.455 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -3.523 6.084 -1.014 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 14.257 23.539 -3.948 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 5.254 17.044 19.620 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 9.405 0.366 -3.103 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -5.196 6.661 14.745 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 14.325 -20.477 -5.375 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 8.290 -2.915 4.809 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 7.204 -16.131 -2.316 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 -1.582 8.442 4.436 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -0.477 -1.612 -0.513 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -10.897 -8.902 23.267 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 -6.142 -4.317 10.307 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 -3.691 0.343 -5.214 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 11.055 -3.557 -10.127 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 1.205 0.478 -7.820 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -3.314 -9.978 6.352 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 -3.575 -11.657 5.734 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -17.439 0.185 -19.026 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -2.519 3.180 -1.622 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 11.894 -16.680 3.309 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 7.439 0.545 -10.992 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 0.306 2.734 2.009 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -3.289 -9.974 20.470 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 -11.845 -19.800 -11.818 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -4.069 -1.789 1.111 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 11.191 0.216 -4.576 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 -9.622 -15.689 -2.032 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 -0.177 -0.681 5.731 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 3.362 2.579 9.390 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -8.607 1.830 11.310 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 4.414 1.167 0.139 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 15.106 -23.467 -25.016 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 4.428 2.523 -4.339 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -2.337 1.217 -1.932 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 14.416 27.822 -6.896 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -24.804 10.203 -20.078 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 1.828 -10.020 -3.250 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -1.478 -20.378 6.957 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 14.606 -6.983 17.661 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -4.599 -0.844 2.840 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -16.488 1.062 -14.092 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 13.487 8.813 -0.981 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 6.189 0.854 -0.910 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -8.537 19.559 -0.047 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 7.105 10.913 2.497 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 -0.413 -3.171 -5.399 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 12.592 1.456 -9.884 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 16.408 5.876 22.095 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 1.229 1.331 1.675 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -1.786 3.400 -0.486 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -3.987 -17.546 8.051 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -2.960 -2.559 -5.809 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 9.638 10.428 32.172 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 16.854 16.000 8.360 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 12.006 0.166 -0.293 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 44.603 -14.075 9.924 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -8.348 11.920 -4.962 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 0.968 3.441 -4.164 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -1.701 -0.381 -15.396 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 4.602 2.282 2.790 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 -3.329 -0.983 0.045 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -22.449 -8.754 -7.990 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -3.665 -13.239 16.264 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -2.492 -3.999 -4.258 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 -19.147 10.356 6.333 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 36.302 -1.823 8.447 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 -5.993 1.835 3.322 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 11.515 -15.722 -23.335 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 10.173 -1.647 27.557 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 0.391 -3.328 6.987 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 -22.626 -4.500 2.903 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -0.285 7.560 -34.096 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 3.749 -0.972 0.940 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 18.925 0.337 -1.454 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 -8.043 -4.345 -0.292 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -2.860 -3.399 -1.028 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 0.606 5.803 -7.366 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -6.427 -7.909 10.608 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 0.596 -2.740 4.771 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 3.343 -2.855 13.739 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 -2.652 -1.176 -1.343 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -5.332 2.361 -1.377 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -12.816 2.474 21.095 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -6.475 37.280 -15.675 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -7.464 4.101 0.182 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 -2.344 -13.166 13.100 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 -10.362 11.612 -7.379 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 6.031 -1.029 -1.110 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -0.433 4.513 -8.362 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 -4.173 -25.318 14.873 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 -1.096 1.572 -2.683 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 5.680 -12.673 -5.387 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 -4.349 7.426 -3.650 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 3.062 -4.918 0.806 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -1.323 -7.391 7.411 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 15.931 8.510 2.613 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 4.631 7.155 -4.311 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 13.941 31.593 10.427 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 -33.046 10.889 -7.325 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 0.708 3.686 0.808 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 8.502 1.093 0.963 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 2.429 -0.532 8.353 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 0.738 1.307 1.344 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 3.915 -1.491 4.764 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -4.148 -1.019 -7.749 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 -0.380 -4.243 9.064 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 4.150 -1.888 23.402 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 2.757 -12.754 2.519 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -5.249 -1.080 0.912 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 4.074 -12.048 -1.482 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -1.826 -5.983 -0.826 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 1.267 2.083 1.093 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -5.487 6.124 6.931 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 8.358 -2.946 -6.339 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 7.703 -5.528 -7.017 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 13.834 -3.532 -9.878 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 10.911 -19.070 -7.535 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 -5.585 -0.094 2.724 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 -14.337 -6.861 -2.980 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -14.595 3.224 -21.964 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 0.382 -3.850 0.319 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 14.851 1.062 -7.351 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 -19.832 17.455 16.731 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -2.296 -3.736 -1.146 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 -3.301 -15.035 -6.454 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 4.950 -6.243 -4.864 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 1.153 6.410 -2.071 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 4.649 10.054 -1.708 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 -2.656 -3.409 1.764 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 -0.876 4.550 4.526 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -10.861 5.269 -5.156 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 -14.395 4.746 -12.711 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 5.275 3.144 2.534 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 4.819 5.419 8.950 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 22.168 -23.537 -14.401 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 1.231 3.936 -3.843 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 10.835 -2.207 3.981 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 5.813 11.185 -7.364 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -3.132 3.428 -5.320 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 2.701 22.714 -10.180 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 -6.711 -6.342 -6.434 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -2.084 3.403 -4.888 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 9.778 7.166 -32.580 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -26.138 2.815 -12.980 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 -6.665 8.795 0.415 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 19.536 -18.307 -16.675 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 7.717 -7.726 -6.191 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -2.391 3.464 2.440 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 17.327 20.872 -4.946 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 17.052 20.199 -5.202 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 2.549 -5.840 -4.311 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 8.607 2.746 20.407 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -10.338 -4.349 -27.235 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 5.101 -5.398 4.633 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 -14.061 -7.447 -0.327 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 5.600 -1.552 2.102 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 -1.150 -0.268 -1.688 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 -6.016 4.870 -9.214 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 1.073 -3.088 1.878 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 9.975 7.136 -1.649 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 29.317 7.829 7.017 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 9.919 6.060 -10.224 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 -6.108 8.916 -5.733 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -9.217 3.131 0.781 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 2.036 -0.728 4.861 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 -3.014 2.389 -6.330 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -3.036 5.234 -23.718 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -7.467 -6.639 5.467 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 -0.006 -8.765 0.456 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -26.995 12.945 17.855 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 6.667 -14.183 -5.716 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 -1.885 -0.148 -5.106 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -22.210 9.390 4.110 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 13.173 -7.493 -10.315 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 1.462 -2.867 -0.276 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -0.652 -2.243 3.938 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 18.278 4.502 1.614 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 0.266 -10.671 0.161 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -7.395 7.401 8.797 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 -11.657 1.881 -4.048 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 -1.605 -10.835 -2.253 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 3.358 -12.750 -11.421 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 16.479 -14.085 19.178 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 0.569 5.102 0.443 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 -10.707 -0.811 -10.952 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -8.727 -1.585 -8.350 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 4.867 -0.860 -2.494 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 11.891 -24.540 -30.129 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 29.054 1.961 -2.277 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 0.685 -2.793 2.147 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 2.512 -19.172 -11.976 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 -4.209 -2.531 17.807 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 0.665 4.882 -2.427 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -0.572 5.819 -3.940 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 1.613 5.448 -0.192 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 2.309 -7.271 -0.906 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 1.404 -13.306 1.390 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 17.253 13.499 -3.620 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 -2.437 1.233 4.322 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 1.572 13.681 4.271 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 3.128 20.311 4.183 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 -2.039 -0.293 -3.775 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 19.036 -7.270 -8.042 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 41.911 14.376 3.083 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 -2.719 3.915 -1.857 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 2.065 -2.956 -21.671 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 -3.972 -14.352 -22.371 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 -15.015 3.631 1.902 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 6.702 -13.553 -5.225 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -19.579 6.214 -21.359 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 -7.357 -0.676 1.587 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 -9.272 -7.271 1.155 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 -6.107 1.375 11.020 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -4.189 3.927 1.303 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -11.251 -11.565 -9.932 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -16.733 11.531 -1.723 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 -3.584 8.949 1.857 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 2.138 14.828 0.092 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -24.773 -7.724 5.546 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 9.031 6.662 -0.233 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 6.699 6.643 -18.981 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 28.646 14.551 3.909 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 -3.705 6.030 -8.727 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -0.419 -4.452 -10.596 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 15.240 -12.384 -15.893 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 7.366 0.852 -3.802 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 21.393 -3.063 -3.672 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 13.372 2.644 -6.055 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 0.357 -2.298 2.568 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -8.850 -9.470 -6.224 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 10.358 2.214 -6.056 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 0.459 0.725 -2.874 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -8.464 2.572 -13.910 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 0.148 -4.422 -3.131 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -1.025 2.142 4.822 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 16.969 -18.607 -1.876 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 17.377 -22.789 20.451 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -5.033 -4.758 -7.026 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 -3.163 -7.975 -14.500 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 -5.374 34.185 1.503 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 1.092 0.601 4.814 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 23.107 12.992 -6.083 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -4.404 6.537 -3.923 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 0.672 1.818 -2.081 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 11.740 -4.061 -6.684 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 -15.631 13.798 4.883 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 5.066 3.515 1.817 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -1.200 -1.491 -5.408 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 -3.660 -7.082 -3.167 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -0.259 -0.344 6.311 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -5.607 -0.751 13.983 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 -10.612 -13.290 16.177 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 2.604 -0.752 0.074 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 8.334 9.927 -13.125 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 13.742 -5.345 -12.423 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 0.888 -4.809 1.977 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 11.642 -6.510 -5.912 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 26.395 -9.619 -2.328 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 0.188 -7.431 -3.972 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -4.800 2.089 9.821 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -3.873 12.298 -6.276 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 7.289 1.457 -0.835 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 15.918 19.473 -11.823 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 -3.551 -7.206 -12.067 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -2.967 -0.848 -1.111 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 11.715 4.196 0.352 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -27.970 -8.584 -4.680 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -5.331 2.485 -0.073 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 16.715 18.472 3.406 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 3.957 -19.549 7.079 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 -6.916 -0.792 -3.760 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 -0.572 -4.445 12.516 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 -12.102 8.806 5.504 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 -1.546 0.178 -2.440 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 -4.051 -15.319 -3.875 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -5.428 11.204 -1.070 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -4.800 1.830 4.583 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 25.783 36.441 -7.355 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -8.298 -6.675 6.677 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 6.135 -1.285 -3.735 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 7.573 -23.188 7.222 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -16.347 5.889 4.735 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 -4.208 0.540 -1.609 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 7.197 17.750 -24.450 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 -12.954 5.612 3.124 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 3.381 -1.489 3.843 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 4.240 -1.587 1.959 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 23.551 -1.450 21.717 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -1.129 -4.170 3.625 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 2.904 -3.664 -7.523 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 -1.646 -7.567 2.252 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 -1.664 -5.955 -0.824 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 15.595 -6.435 -7.095 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 8.148 -5.934 -0.951 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 1.179 -1.514 -5.094 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 1.081 19.190 -31.282 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 6.153 -6.618 -18.646 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -4.724 3.978 -1.002 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 -9.637 -0.437 -0.371 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 -14.105 10.867 -6.772 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -3.389 3.085 -3.453 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 -6.495 -0.598 6.824 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -3.087 -5.777 -7.992 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -3.859 -2.806 3.888 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 5.986 1.740 13.278 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 -14.229 -5.673 7.307 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 3.361 -2.830 -2.922 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 3.212 2.863 -18.341 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -1.073 -1.920 -3.079 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -1.372 -2.667 5.958 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 -1.903 -18.025 15.877 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 4.112 -4.771 -6.548 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 -1.591 2.120 -3.102 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 -6.694 -4.244 -9.226 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -8.994 -13.810 -14.095 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -6.705 -4.571 -3.240 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -22.908 7.521 -1.169 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 -5.074 14.471 -26.030 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 5.863 0.212 5.156 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 14.002 6.747 -6.161 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 1.942 8.304 11.209 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 5.578 -2.022 -0.863 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -6.810 -0.723 -0.737 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 -14.963 -19.909 4.583 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 6.200 1.721 1.788 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 8.482 -7.275 -4.948 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 9.648 -10.995 -7.656 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 0.287 -3.242 -0.520 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -5.702 7.633 12.918 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 -0.597 -9.432 -5.738 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 -1.258 0.250 4.325 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 7.372 -5.732 4.787 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -6.373 3.632 3.755 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 2.308 -0.209 -0.448 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 -1.828 -2.542 -8.748 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 -2.852 -0.815 -7.526 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 7.265 3.549 -3.973 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 14.823 2.879 -10.168 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 -0.572 2.134 -5.361 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 -0.848 3.867 4.284 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -11.647 -19.494 -2.404 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 3.698 7.787 -13.823 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 1.034 -0.777 1.860 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 4.359 0.346 -0.745 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 -8.933 3.135 5.691 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 8.573 6.787 -0.894 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 3.678 5.816 1.155 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 3.490 2.560 5.892 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -0.114 4.888 4.373 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 2.240 21.426 11.022 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 -0.915 12.201 17.787 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 -1.377 -2.797 2.792 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 -4.398 5.112 -17.439 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 -0.659 -4.395 6.515 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 6.137 5.738 -0.379 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 18.671 -5.238 30.295 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -29.546 27.920 -8.788 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 0.139 -3.248 8.336 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 -2.734 6.491 18.170 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -6.777 3.123 -10.242 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -1.669 -1.235 -0.184 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 0.367 -2.650 -1.311 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 0.012 -20.817 -10.440 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -1.764 -2.550 -6.747 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 10.460 -0.063 13.385 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -21.414 -9.483 -0.629 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 2.385 -2.112 0.395 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 14.696 6.593 -9.529 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 -1.291 -2.694 1.965 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 -1.212 1.106 5.783 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 3.427 22.295 -2.513 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 3.745 13.361 8.695 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 3.803 -3.420 2.886 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 4.667 -9.201 8.273 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 13.436 -18.794 28.670 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 6.215 2.813 -3.184 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -9.607 14.324 4.166 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -4.438 -7.194 -14.009 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 -3.227 2.089 -7.318 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 -3.001 12.036 -5.874 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 0.701 11.093 -23.740 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 -8.188 -4.746 2.934 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -8.990 1.906 6.286 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 -8.453 -0.548 4.466 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 -5.031 -1.969 -10.326 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 -5.555 2.428 -13.461 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 11.257 12.382 8.710 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 1.670 3.843 6.250 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 1.199 8.050 7.740 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 3.500 -8.015 12.248 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 1.055 -4.085 -0.777 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -3.127 -7.833 -20.434 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 3.435 -12.250 0.618 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 -1.072 1.349 -2.388 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 3.055 -1.229 8.833 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 -19.414 -9.396 24.521 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 0.542 -1.176 -1.757 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -29.648 -14.460 -4.827 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 -4.287 -9.373 16.052 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 2.890 -1.522 1.640 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -22.873 -12.892 -29.608 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 -3.174 -6.382 -7.093 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 3.138 1.202 -1.331 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 8.280 3.742 -3.387 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 4.674 10.955 0.417 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -0.264 -5.997 -0.303 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 -4.701 9.478 -2.258 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 11.701 -9.757 0.047 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 1.660 0.533 -2.555 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 -6.331 7.943 8.932 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 20.230 13.387 0.166 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 -4.067 -1.039 0.483 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -1.630 1.897 -4.659 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 2.943 -0.226 3.720 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 0.108 -4.975 -0.728 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 1.627 -10.909 -17.503 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 -8.234 -15.533 4.027 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 -3.120 3.731 0.364 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -1.152 4.258 3.807 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 -3.930 2.990 -2.789 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 0.785 -0.800 -3.554 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 11.196 0.045 13.425 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 13.567 -0.026 -9.821 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -0.540 -5.981 -1.572 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -15.939 19.114 5.534 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 31.020 -9.639 -4.909 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -4.550 3.358 3.748 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 -4.053 2.706 11.709 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -2.943 -2.414 6.828 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -2.792 -0.047 -0.257 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 -7.968 -0.187 7.889 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 5.117 2.409 -11.053 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -1.583 -6.204 -3.874 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -14.362 10.344 3.814 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 9.217 -2.233 4.336 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 2.031 -2.738 -4.120 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 -27.981 16.180 -12.434 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 -1.472 3.897 -1.912 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -1.612 -4.996 4.355 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -5.840 12.736 11.071 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 -0.869 -9.704 3.319 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -3.896 2.568 -0.083 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -3.935 -11.293 2.378 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -0.760 6.057 -7.479 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 0.080 9.877 1.596 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 3.521 4.933 -3.877 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 -6.965 7.427 19.082 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 4.970 8.315 1.023 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 4.716 6.342 0.245 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 3.398 7.272 2.915 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 0.114 2.475 -1.953 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 4.241 16.396 -12.461 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -0.916 1.047 0.073 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 4.586 0.824 4.201 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 16.882 -13.586 -15.657 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 12.711 -7.147 -6.424 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 1.327 -0.578 -3.228 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 -3.528 -2.043 -3.974 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 -1.053 -8.609 -16.942 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 -1.138 -1.963 0.288 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 -21.011 33.688 17.513 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 4.177 -13.751 -4.920 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 -1.437 5.386 -1.433 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -3.035 17.763 -13.109 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 4.517 -5.443 5.144 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 -3.833 7.630 -2.171 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -10.398 -4.332 -13.420 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 -4.085 6.066 23.595 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 3.834 -1.634 -10.078 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 -5.182 -7.227 -2.105 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 5.845 7.960 -2.748 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 2.958 -2.147 -1.157 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 7.061 -0.371 -3.042 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 6.045 -14.918 16.551 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 -2.552 1.151 -4.162 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 -0.394 9.875 13.114 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 0.933 8.976 13.291 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 2.511 0.916 1.491 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 -8.126 36.999 -9.066 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -18.127 -15.464 9.286 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 -6.550 -0.845 -4.034 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 -11.477 -14.717 -8.486 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 -6.132 -8.405 -7.158 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -1.114 -5.596 0.769 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -9.586 -6.524 7.756 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -8.520 -5.618 10.970 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -2.125 -1.614 -3.227 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 3.704 -24.285 10.219 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 -3.630 -20.545 6.247 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 3.157 -1.906 -7.218 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 10.325 6.059 -16.243 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -8.924 12.834 -0.275 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 4.285 -0.284 -3.542 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 14.063 3.086 -21.445 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -6.895 -4.600 -24.616 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 -1.579 3.292 -3.689 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -2.028 8.198 -22.113 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 10.762 -16.330 9.746 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 -2.976 0.211 1.783 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 15.515 18.154 -2.179 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 0.580 -3.149 5.546 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 5.712 -5.291 -4.115 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 -2.414 5.856 13.005 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 0.995 -6.101 0.776 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 4.268 0.014 -5.450 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 -1.162 -0.813 0.070 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -0.784 1.851 -12.824 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -2.856 1.900 0.469 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -14.085 12.227 -0.164 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -5.327 -10.006 -13.238 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 2.370 -1.592 -0.956 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 5.941 -2.093 -0.095 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 8.034 -1.207 0.032 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 2.073 -0.334 -1.062 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -2.722 14.643 2.926 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 7.217 -17.007 -4.319 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 0.697 6.003 5.453 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -6.231 18.973 -15.791 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -0.730 -12.313 -1.444 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -3.007 -5.744 1.359 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -6.441 -10.728 5.687 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 4.452 -8.529 -2.026 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 -4.636 5.477 1.502 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 -11.730 4.976 -8.182 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 3.276 -6.653 -0.702 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 8.435 -3.637 -1.939 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 18.390 -8.164 9.310 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 21.374 -6.500 5.604 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 -9.884 2.133 -1.144 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 -11.522 12.964 6.328 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 -10.561 -2.913 -3.040 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 -11.481 2.397 -3.855 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 -12.462 -4.730 -13.447 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 15.790 -0.845 -10.891 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -4.231 0.222 4.962 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 -18.403 -12.788 -1.100 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -1.642 -2.985 0.112 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 4.853 -0.684 -3.436 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 -15.851 -2.323 -27.030 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -5.831 16.915 -24.295 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 -2.388 3.547 4.795 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 12.440 -11.830 -8.787 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -12.139 1.204 1.827 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 -0.879 -2.416 4.614 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 10.242 -24.787 25.623 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 7.331 -18.140 21.154 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 4.019 -0.081 -2.475 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 5.140 7.637 2.280 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 4.849 20.621 12.016 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 1.812 0.589 2.868 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 10.373 -12.273 -13.696 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 -11.262 -8.471 -3.560 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 -0.596 3.340 -2.863 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 5.018 -4.105 -12.137 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 1.917 -3.494 9.535 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 -4.400 1.333 -4.229 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 0.360 16.480 12.025 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -23.653 -9.709 -14.592 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 9.051 5.594 -0.056 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 3.158 4.262 22.682 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 3.441 5.375 12.749 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -0.691 2.841 -0.023 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 7.826 5.357 -11.691 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 -0.571 -16.940 -6.235 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 4.552 8.025 -3.156 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -6.831 3.315 9.066 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 -6.650 10.244 -2.673 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -4.169 2.198 -7.863 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -5.311 10.527 6.516 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -6.005 32.314 10.789 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 4.921 -0.445 7.677 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 2.292 -9.489 8.939 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 13.924 4.544 5.936 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 0.699 -4.593 4.798 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 12.234 -7.196 -5.709 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 1.659 -1.489 1.994 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -1.403 1.430 -9.077 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -0.621 5.233 2.220 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -7.437 -8.041 -5.134 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -2.324 3.919 -1.741 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 -11.219 19.620 12.961 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 2.138 3.685 -0.299 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 -1.029 0.065 0.897 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 9.986 -14.239 -8.478 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 1.260 -11.345 1.130 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 -0.367 -3.869 -1.820 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -18.128 -8.449 4.217 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -0.575 0.848 -0.210 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -8.161 3.613 1.028 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 9.148 -12.689 2.127 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 9.112 -15.660 4.733 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -3.546 -3.367 4.997 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -18.471 -9.023 -6.940 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -9.232 12.782 -4.458 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 1.100 8.218 -0.713 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 13.902 22.792 7.801 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 1.385 11.442 4.971 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 2.277 2.861 1.508 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -3.989 4.348 -5.733 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 0.608 8.583 7.256 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 4.753 -0.240 1.339 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -6.769 4.061 3.366 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 13.001 -3.660 12.995 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -9.851 5.490 -6.140 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 -8.066 14.043 -3.746 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 13.560 -2.678 -5.795 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 1.234 -0.890 4.299 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 8.153 2.151 3.345 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 -3.186 1.781 8.301 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 8.987 2.306 -1.954 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 4.263 5.472 -3.239 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 11.177 -0.012 -0.709 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -6.107 -2.957 0.604 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 7.886 -19.342 9.931 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 -6.595 5.254 -3.803 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 3.496 -3.974 -5.846 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 4.287 -0.225 7.281 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 18.925 18.139 1.380 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -2.946 -4.724 -0.843 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -4.947 -7.597 -7.789 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 0.298 3.238 1.485 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 -1.975 5.841 -1.195 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 11.563 -4.099 4.353 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 -25.653 26.821 47.990 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -3.896 -0.794 1.430 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 -6.247 0.817 5.062 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -4.564 -4.115 -5.276 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -3.343 -2.769 -10.135 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 6.478 -16.996 -4.900 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -19.585 3.413 -7.970 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 5.579 -2.459 -0.396 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 6.034 3.311 3.799 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 7.218 -1.043 -2.956 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 6.912 1.201 10.610 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -0.886 3.170 -14.947 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 -2.056 24.114 20.084 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 5.786 1.128 3.764 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 12.693 10.879 -3.658 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 16.405 0.634 -1.002 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -2.456 -1.944 -0.317 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 -4.465 -1.551 5.669 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 -3.995 4.159 -23.913 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 2.884 -7.992 10.072 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 2.305 -4.176 19.255 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 -3.188 -1.435 5.630 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -2.693 -0.775 2.445 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -0.049 7.067 9.551 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 -5.880 -3.543 -6.215 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 5.929 0.786 -7.420 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 22.621 -22.769 0.981 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 5.281 1.692 -7.594 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 -5.302 6.548 4.043 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 3.988 7.827 0.262 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 7.897 0.609 8.038 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -1.639 -0.971 1.886 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 -13.929 -6.046 -1.210 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 -6.685 -7.251 3.248 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 7.766 1.231 -2.362 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 0.087 -10.024 -12.889 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 -6.196 10.116 -31.264 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 5.628 0.441 -1.692 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 4.334 -11.518 22.858 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 15.964 13.210 9.713 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 6.629 3.845 1.784 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 5.755 -5.961 -11.559 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 14.697 17.109 -4.593 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 1.562 -1.100 3.905 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -12.251 10.270 9.451 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 -28.046 12.752 12.660 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 2.232 -4.745 -4.625 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -9.143 1.047 2.337 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 5.831 19.886 -10.526 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -5.099 0.861 4.296 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 1.270 -7.413 -5.376 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 -13.737 -6.600 12.650 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 2.756 -1.996 4.110 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -4.728 12.536 -20.312 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 27.953 20.920 -7.957 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 5.617 0.037 -2.317 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -2.115 -14.992 13.023 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 7.408 13.102 -16.555 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 -1.338 -5.028 1.867 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -1.963 -19.530 8.593 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 1.642 0.950 1.359 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 -0.802 7.529 -3.621 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 -21.822 -25.731 10.640 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 10.712 4.819 8.258 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 0.166 -2.376 -0.375 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 4.836 -5.204 12.080 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -13.076 -15.171 11.876 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 3.097 0.660 1.549 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 19.237 2.243 -19.814 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 3.734 2.095 -4.005 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 -0.383 -1.819 -3.113 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 3.416 17.550 -9.261 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 1.127 -22.976 2.174 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 3.765 -0.458 -5.047 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 3.503 1.084 -2.939 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 8.884 -15.754 -7.119 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 1.809 -3.744 -4.006 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 12.177 -8.370 7.771 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 5.443 -6.596 6.328 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 1.583 -0.989 2.207 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 -16.159 15.041 -14.403 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 -1.579 1.002 6.234 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -1.051 -0.685 -1.820 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 -0.057 -4.351 -13.545 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 6.158 2.141 2.015 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 1.115 2.607 0.631 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 16.299 -14.569 -12.342 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -2.614 -1.951 -7.191 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 -4.749 3.151 0.442 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 7.470 4.035 -0.716 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -2.155 -1.131 -12.345 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 -0.076 4.943 -0.079 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 1.472 5.029 7.690 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 1.810 -15.845 1.447 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 -0.256 -5.318 0.700 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 -19.960 24.571 -11.485 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 -9.274 -11.480 -6.254 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 4.217 3.140 -0.725 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 -0.858 -2.336 7.760 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 7.715 9.824 -6.741 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 0.774 1.038 2.225 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 18.413 -5.327 -1.789 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -4.549 13.197 8.987 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 5.666 -2.889 -2.147 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 13.338 -20.687 1.191 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 -8.833 -10.602 -12.941 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 2.578 -0.096 -2.367 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 -8.212 7.394 -6.205 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 7.058 -10.588 8.399 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 2.361 0.814 -2.945 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 -9.804 13.049 -5.565 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 10.862 1.135 -10.720 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -10.927 -1.041 1.700 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -6.975 -8.509 -0.652 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -5.845 -2.253 3.247 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -6.451 -6.630 -4.115 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 -17.634 -10.117 -4.485 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 -9.769 10.811 8.108 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 -5.649 1.064 -3.657 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 9.695 -8.720 -7.293 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -3.522 -0.890 -5.212 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -0.389 2.806 -3.427 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -1.212 -0.275 -7.759 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -6.765 -1.977 3.508 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 0.318 7.167 -0.513 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 25.125 11.206 -19.136 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 1.642 -6.180 -5.235 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 0.121 -7.585 0.911 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 3.656 -5.729 7.323 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 6.843 -0.897 22.623 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -0.742 -4.431 -3.130 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 2.665 -5.951 -0.812 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -4.853 -1.890 -8.699 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -4.530 -5.722 -2.073 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 -9.413 -2.498 -14.049 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 -6.323 -6.468 -0.520 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 4.983 1.889 2.529 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 -16.737 -6.705 -3.818 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -45.792 0.043 6.315 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 -0.792 -3.564 -6.366 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 -9.514 -4.401 -8.969 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 4.606 -5.136 -16.338 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 -4.776 -0.654 -1.998 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -19.180 9.199 0.800 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 2.045 -0.682 -21.391 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 -0.148 -5.492 -0.101 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 11.846 -7.083 2.042 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 -3.679 7.249 3.180 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 0.648 -0.965 -4.546 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 12.079 6.407 10.271 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 20.278 0.254 7.827 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -1.333 -1.509 -1.306 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -10.637 -13.005 8.441 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -19.792 9.164 17.999 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 -0.764 -7.806 2.551 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 -4.591 -3.582 10.840 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 -14.648 -0.583 -0.077 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -1.384 0.999 1.507 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -6.193 6.725 4.551 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -9.843 8.859 6.029 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 1.601 -6.021 2.126 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 -10.983 -21.392 9.535 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -10.480 10.597 -1.503 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 4.776 -0.959 -3.751 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 0.794 -7.070 -13.148 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -3.136 4.567 -16.052 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 0.801 -1.755 -4.305 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 7.352 22.807 -24.500 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 26.068 -14.470 5.743 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 4.095 -1.967 -2.035 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 17.517 -26.529 16.054 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 -8.606 0.468 -2.158 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 -4.912 10.427 -5.001 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 0.527 7.295 1.721 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 -0.731 2.059 -5.927 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -1.396 3.204 3.949 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 -13.276 -14.750 5.165 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -11.621 -2.601 5.960 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 1.299 2.844 3.677 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 2.136 6.792 9.122 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 -4.189 -9.291 15.504 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 0.319 -1.243 -2.848 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 -3.534 10.438 -1.033 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 0.783 -2.181 -3.372 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 1.297 -3.865 -8.475 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 -10.353 -5.017 -5.401 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 0.774 -2.462 -6.609 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -7.867 3.905 7.667 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 17.032 -4.275 -11.638 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 6.863 3.389 13.156 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 -2.449 1.956 5.819 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 -4.611 -1.065 -2.166 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 0.955 2.123 10.570 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 3.680 -7.749 -1.632 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 8.134 -8.136 6.372 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 11.700 -15.919 6.525 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 2.743 5.442 6.388 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 8.105 0.729 -22.607 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 9.515 -3.649 12.569 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 -6.734 -2.734 -4.028 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 2.259 -10.088 -10.298 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -0.128 -8.590 -10.619 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -2.726 3.484 -3.835 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -13.910 -13.550 -6.929 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 10.712 0.959 10.091 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 -4.356 -0.909 3.225 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 -7.439 -3.815 -42.832 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 2.451 -2.132 2.492 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 -0.525 -3.071 6.448 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 7.969 -7.619 -14.286 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 0.803 -2.577 14.295 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 10.200 -3.925 -3.725 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 3.302 11.976 -5.885 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 24.755 -3.234 -13.192 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -1.015 1.229 -3.916 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 25.619 1.592 8.592 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 -13.783 10.237 -38.326 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 -7.356 2.607 -2.505 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -8.950 8.621 -10.290 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 4.705 -4.588 0.704 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 1.376 -1.061 7.147 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 5.957 -11.972 -9.007 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 -8.068 13.847 0.538 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -9.426 1.112 -3.395 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 1.688 8.671 -12.820 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 -21.379 -5.554 -14.020 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 3.681 -1.135 -2.617 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 5.514 -2.600 -1.452 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -4.025 7.749 -12.357 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 5.050 1.757 -1.774 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 3.565 1.372 -1.717 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 -4.343 2.619 -5.025 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -4.354 0.869 1.952 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -4.140 0.448 -0.818 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 1.634 4.468 -34.523 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 -1.229 -0.006 2.300 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -1.900 7.266 -8.912 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -11.718 8.301 0.964 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 -1.896 0.700 2.508 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 18.768 -7.442 1.030 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 -4.701 5.577 19.208 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -0.742 -3.170 -5.014 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -17.672 -1.214 -11.476 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 -13.694 1.482 7.277 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 0.020 -3.645 0.869 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 1.471 -10.018 -4.859 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 22.072 5.530 -21.299 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -4.063 -4.545 -5.256 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 10.486 -1.672 -14.033 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 -0.892 -11.946 -15.117 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -1.869 2.352 -1.240 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 8.774 -41.351 5.582 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -2.082 7.086 -7.770 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 0.342 0.380 1.645 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -10.249 -1.709 -15.278 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -2.857 1.893 3.828 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -9.450 1.992 5.307 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 -17.773 -8.913 8.251 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -12.045 -0.391 6.873 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 0.097 -1.577 1.868 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 1.754 -1.561 0.883 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -6.420 -7.718 -9.127 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 2.028 9.336 -0.040 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 10.174 -2.885 -24.503 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -3.715 13.944 -23.501 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 0.101 4.658 1.024 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -0.737 30.591 14.839 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 18.946 4.976 26.305 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 0.159 -0.547 6.956 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -4.415 -8.305 22.898 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 8.949 10.450 -15.757 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -1.060 -0.802 1.680 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -6.854 3.291 9.686 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 8.883 -2.739 -0.092 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -1.535 -9.421 -5.003 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 24.661 -30.277 11.450 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 -19.976 32.358 9.605 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 7.847 -3.009 -1.622 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -19.459 -9.756 -14.975 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 -7.434 -18.852 -3.866 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -2.894 4.572 -0.922 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 14.760 29.024 -12.340 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 6.867 -2.695 7.107 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -2.982 -2.471 -2.287 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -6.932 -9.195 -3.984 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 -6.087 -3.130 -7.745 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 2.725 -2.250 2.472 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 -4.998 -1.887 6.071 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -2.351 -1.456 -4.851 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 -6.147 -4.698 3.250 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 24.431 13.201 -9.969 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 -19.542 11.779 6.868 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 3.409 1.044 4.765 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 -6.422 -13.460 17.530 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 7.402 5.535 1.887 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -1.435 -3.813 -0.366 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 -5.927 -5.897 7.057 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 2.538 4.359 -3.815 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -3.354 -3.527 1.919 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 -13.005 -8.816 10.147 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 13.821 4.297 -2.870 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 3.875 1.350 -1.608 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 13.376 -37.634 6.887 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 33.219 -3.008 3.132 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 4.230 0.797 -8.518 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -19.194 12.339 -16.523 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 8.104 1.827 7.943 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 1.602 4.712 8.259 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 4.368 12.061 3.447 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 1.970 -4.880 3.610 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 -0.567 -0.078 5.255 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -2.227 6.237 10.231 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -42.608 2.927 -2.617 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -5.431 4.115 1.853 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 -11.324 -2.189 2.855 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 12.892 -5.688 -5.083 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 -4.293 0.447 7.691 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 23.017 -19.732 15.500 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 7.800 3.654 -2.448 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 0.362 0.657 -0.456 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -7.012 -2.305 -3.940 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 17.650 -3.708 -11.901 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -3.279 -4.123 -1.228 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 2.469 -10.410 -8.239 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 5.302 -16.128 16.209 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 -0.678 9.539 -6.742 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -1.010 18.937 -9.773 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 6.449 -8.588 -2.117 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 -9.370 0.864 -2.548 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 11.122 31.911 17.524 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 -6.593 -10.080 4.989 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -1.544 8.066 2.457 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -5.710 -17.030 -6.520 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 38.446 7.951 10.258 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -0.737 2.209 -7.749 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 9.168 -11.393 -14.637 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -3.373 -14.289 -2.118 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 -0.601 -2.498 6.611 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -39.782 4.045 -6.224 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 14.919 -4.366 -9.295 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 2.764 3.542 -1.213 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 15.986 6.114 2.870 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 2.390 -10.010 -1.041 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -1.119 -0.677 3.375 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 27.443 20.275 -39.549 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -11.915 13.213 -2.031 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 2.703 -0.704 3.727 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 20.085 -22.226 -18.907 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 -2.586 -3.855 -4.190 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 -4.507 3.104 -3.346 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 1.599 9.946 -22.530 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -3.395 8.267 -12.940 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 6.509 6.099 -8.307 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 -6.578 13.471 10.391 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 4.225 -15.487 -4.018 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 -3.756 2.384 3.499 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 3.786 17.111 18.080 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -9.976 -9.288 4.141 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -6.950 -3.413 -0.830 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -6.369 -7.968 -16.567 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -10.448 -2.174 13.880 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 -0.372 -3.547 1.640 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 8.616 -3.145 -13.343 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 14.599 -13.869 -30.036 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 -5.489 2.250 -5.829 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -2.245 1.083 9.178 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -1.968 5.153 -11.438 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 1.534 7.428 4.530 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 1.561 12.067 11.751 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 1.278 -4.439 -1.564 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 1.888 1.083 -6.562 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 16.717 7.279 11.831 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 -8.709 10.185 14.290 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 3.634 3.873 -1.826 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -13.135 -15.034 -8.222 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 -6.149 3.682 17.412 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 -5.117 -6.411 -3.512 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -3.040 -17.427 -7.260 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -18.143 -2.986 7.504 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 0.634 -1.847 5.954 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 5.628 -2.368 11.356 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -12.504 -9.440 -3.296 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 -5.987 0.184 4.088 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -25.757 -35.655 4.524 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 4.857 -5.913 26.383 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 5.429 -1.803 -4.462 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -3.749 -19.262 3.570 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 11.671 13.262 6.795 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 1.076 -4.230 1.459 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -10.865 8.508 -5.756 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 -5.518 12.467 -2.054 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -0.920 -1.578 -7.398 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -2.933 8.129 -12.111 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 8.540 0.618 -16.676 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 0.250 0.644 0.742 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 22.918 1.025 -1.549 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -22.284 -21.097 -22.714 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 3.668 -7.960 -3.172 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 1.282 5.008 -0.062 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 -0.267 4.642 -0.517 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -1.424 0.043 1.511 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -4.311 -0.569 -0.807 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 -12.408 -4.380 -9.369 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -2.600 6.268 4.944 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -5.475 12.199 1.564 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 8.243 13.016 -19.491 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 2.152 -1.856 1.920 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 10.929 9.217 -0.447 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 25.009 23.700 -4.685 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 -1.838 0.322 0.882 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 -2.697 15.125 12.116 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 13.902 -0.032 -3.573 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 1.039 2.328 3.722 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 4.954 6.294 -8.726 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 -4.686 5.921 3.843 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 -1.154 4.053 -1.354 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 -3.656 9.995 -2.281 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 22.652 7.746 3.284 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 -1.412 -5.281 -5.820 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -16.026 -18.604 -24.022 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -11.146 34.178 2.174 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 0.172 -1.686 1.456 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -10.729 16.197 -4.262 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 -14.034 16.494 -12.436 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 0.930 -2.610 -8.437 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 -5.491 10.335 11.414 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -7.433 -26.782 -14.612 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -2.043 -7.202 4.962 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 6.676 -26.208 -4.650 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -3.404 -9.505 4.156 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -8.118 1.523 8.531 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -15.488 6.785 -0.822 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 21.839 -23.316 24.101 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 2.948 -1.888 -2.906 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 28.221 9.605 6.444 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -14.402 -14.529 16.062 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 2.304 0.517 -2.632 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 7.763 2.515 -19.665 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 4.094 -2.583 0.090 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 0.882 -6.541 1.832 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 -3.830 -9.623 1.470 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 -25.477 -12.040 8.644 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 -7.900 1.655 1.951 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -11.741 -14.831 10.160 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 -2.472 10.790 -10.588 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -9.431 1.143 -1.309 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -20.831 11.497 6.139 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 3.819 10.631 -5.795 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -2.064 9.680 -1.802 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 5.820 -4.745 -2.027 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 12.255 9.146 3.192 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 2.928 0.213 -0.416 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 -3.981 -1.759 -13.403 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -2.506 8.578 1.348 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 1.009 -9.634 2.298 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 -3.538 -7.408 4.024 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -5.491 -12.173 -5.024 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -0.140 -3.796 2.003 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 2.545 1.951 15.804 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 2.561 -12.797 -0.724 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 2.044 1.448 1.315 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 4.340 1.922 -7.674 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 18.820 -8.731 -16.082 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 1.873 -1.798 4.508 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 9.519 -5.510 13.559 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -9.331 6.714 -12.461 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 0.569 3.025 -5.748 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 16.012 20.323 11.279 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 25.565 10.117 -13.227 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 7.031 0.121 -2.821 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 2.332 -17.073 -13.764 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 23.213 11.704 -6.085 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 5.956 1.277 -0.039 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 8.331 7.901 7.244 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 14.964 0.309 -11.313 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -1.191 -1.304 0.969 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 9.187 17.906 -0.463 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 8.005 3.913 1.991 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 2.989 4.568 -2.407 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 1.298 -4.428 -1.082 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 6.387 15.898 6.248 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 -2.895 -7.341 5.746 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -35.685 -18.571 -0.911 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 12.138 -21.618 5.009 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 -5.885 8.200 -3.382 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 -24.711 0.370 -5.936 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 5.512 -2.671 -15.332 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -2.201 5.226 2.045 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 19.125 -6.793 24.409 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 5.327 -3.574 -4.201 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 4.160 1.051 2.401 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 18.236 10.297 8.995 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 6.050 -0.256 18.977 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 -1.221 5.420 -0.275 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -2.384 4.407 -6.050 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -4.289 6.054 -5.123 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 0.074 4.732 -1.874 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 -14.050 13.189 -5.192 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 -4.214 16.921 -13.165 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 5.184 1.050 6.728 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 3.643 5.515 23.888 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 18.354 -0.585 0.739 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 2.843 -2.310 3.807 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -5.885 -7.629 15.027 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -1.116 -4.356 2.981 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 2.245 -2.362 -3.414 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 -16.117 -7.717 17.521 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 0.837 -8.771 -7.073 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 5.688 -1.855 2.534 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 7.876 -6.788 -3.118 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 14.724 -20.909 -15.589 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 -5.344 5.553 -0.245 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 -8.418 27.761 3.378 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 7.865 -9.410 7.712 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -1.473 -3.247 -5.886 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 -0.380 -14.361 20.863 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -4.940 -13.243 -17.571 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 -0.991 -2.122 6.444 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 -5.583 -12.968 10.566 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 -6.169 -0.444 -3.997 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 -0.156 0.156 -0.593 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 13.057 0.725 7.451 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -21.503 -5.701 13.468 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 -1.601 -0.609 7.249 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -9.948 -1.637 -3.594 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 -1.784 1.961 10.481 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 1.710 -2.011 0.618 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -16.193 6.490 -9.821 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 10.170 1.334 -18.633 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 -2.452 -1.828 -4.092 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 2.018 1.448 -7.513 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -26.931 -3.630 -3.609 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 3.808 -3.981 -1.820 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -2.129 -4.576 29.980 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 6.559 -3.368 -14.099 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -5.233 -4.301 0.795 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 15.676 10.786 29.477 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 9.215 -0.153 7.318 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 4.004 -2.278 -0.108 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 8.476 -15.538 -2.279 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 -2.669 6.694 0.040 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 3.725 -4.888 4.022 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 -12.416 2.391 -6.175 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 16.580 -5.098 10.873 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -1.699 4.791 -1.435 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 4.815 -11.467 -16.319 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 5.638 -8.132 -11.132 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 5.188 5.296 -4.741 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 19.548 -0.308 21.089 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -9.140 -20.068 -5.967 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 -1.882 3.310 1.036 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 -8.306 -2.443 -0.453 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 20.173 13.859 17.650 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -4.110 4.872 -1.999 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 -3.643 12.478 -18.979 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 -2.817 -7.230 8.611 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -1.609 4.507 4.772 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 -17.164 0.213 12.777 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 17.234 -9.398 17.252 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 5.779 2.073 -3.197 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -15.952 17.670 18.204 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 -8.445 10.417 -1.285 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 1.788 -8.933 0.627 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -25.685 0.667 -19.764 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 21.873 -3.352 6.429 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 1.005 3.426 -1.336 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -4.646 -19.248 -27.964 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 8.227 -8.635 16.899 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 1.471 -7.607 -2.355 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 10.614 -2.564 -8.383 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 13.661 -11.888 -46.554 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 2.549 3.230 -9.299 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 13.435 -4.956 -35.314 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -0.738 1.923 -6.739 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -6.494 3.435 5.544 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 -5.567 -17.364 15.948 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 5.361 4.076 -10.562 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 2.484 7.443 -2.237 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 10.579 10.238 -9.752 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 -1.535 6.265 4.158 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 -1.496 -3.865 1.262 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -8.334 -2.138 0.537 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 9.197 10.310 -39.507 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 -0.292 -4.236 -0.775 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 3.282 -13.602 22.675 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -3.405 24.114 6.347 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 1.624 -0.622 1.500 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 5.260 -3.544 -7.644 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 -3.772 -15.203 42.513 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 0.332 -3.288 -1.485 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 1.598 1.335 4.080 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 7.774 -2.993 9.809 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 -3.635 1.333 -0.358 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 4.157 2.155 -0.826 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -19.853 14.607 20.105 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 0.280 -0.541 0.256 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 26.381 5.806 -11.986 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 -3.329 -7.888 -31.378 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 3.946 -2.401 -2.888 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 3.840 14.931 -7.337 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 3.949 -12.014 -0.629 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 2.834 3.361 -3.954 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 4.671 34.031 11.125 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -4.154 -17.953 1.520 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 3.410 -3.228 -1.557 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 -1.796 6.927 5.254 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 -4.128 0.812 -14.014 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 4.808 4.211 5.008 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 11.751 -5.421 5.726 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 0.406 7.238 22.430 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -2.043 2.674 1.414 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -2.836 -5.902 9.914 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 -0.956 -4.587 -7.189 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 1.742 -1.731 4.477 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -5.482 -10.902 -3.007 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 8.019 7.278 2.078 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -5.404 -2.758 0.940 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 -7.772 19.366 -15.789 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 -8.147 15.015 -10.443 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -0.018 -0.475 -1.312 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 9.921 7.604 -12.807 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -8.404 -5.089 7.647 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -2.125 -1.162 -1.932 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -2.633 18.071 -16.626 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -17.090 -9.110 -1.582 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 2.964 1.262 7.268 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 6.246 -7.217 -18.540 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 14.586 -1.993 -8.507 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -8.189 -1.367 4.906 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -8.573 -0.401 -2.098 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 1.160 -3.204 8.553 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 -1.458 2.104 -4.409 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 -10.922 1.412 11.360 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -22.721 8.524 9.473 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 -5.950 0.600 0.416 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -2.998 -6.333 -4.698 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 -7.243 -0.626 14.078 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 1.293 -5.120 -0.060 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -14.390 11.598 -17.020 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 5.223 -14.533 0.196 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 6.620 -3.418 -3.460 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 6.404 -11.835 -8.238 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 4.810 -7.352 -5.588 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 -5.066 3.389 -0.452 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 1.538 -0.891 -2.813 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -4.857 7.474 -5.586 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 8.261 -3.884 1.473 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 8.954 35.881 -8.498 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 8.367 3.882 2.765 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 1.139 1.111 -5.305 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 -10.461 -9.635 -6.288 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 18.111 15.215 1.608 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 -0.423 -5.555 -1.139 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 -3.940 -8.294 0.685 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -4.500 -10.023 4.697 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 7.417 6.470 4.740 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -20.620 33.926 -7.871 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 -15.859 -16.738 -22.925 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 3.359 2.252 -3.177 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 10.120 -13.170 4.021 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 7.579 -2.114 -7.691 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 -0.057 0.132 7.668 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 2.928 -4.396 4.491 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 20.431 -12.318 -0.619 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 2.314 2.429 4.519 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 -11.962 5.370 1.592 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 8.676 3.348 -12.712 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 4.716 0.191 3.598 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -9.210 9.719 -3.894 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 4.723 -2.091 7.655 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 2.425 0.413 -3.635 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 3.006 -35.485 -10.632 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 -1.824 -1.345 -1.398 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -1.431 0.010 -0.539 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -4.263 -1.416 3.621 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 4.199 11.722 -24.417 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 0.963 -2.943 -4.705 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 5.230 1.029 -2.590 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 -11.915 0.979 -8.450 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 2.965 -6.862 1.481 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 2.085 9.121 1.763 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 6.308 -6.009 -1.132 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 3.530 3.461 -1.402 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 -9.330 -0.873 -21.366 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 7.407 2.557 -4.730 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 -2.642 2.412 5.209 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -5.402 6.953 7.326 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -4.829 -2.044 8.731 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 9.280 -9.893 -0.183 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 0.730 -6.124 2.519 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 -1.181 -7.147 1.524 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 6.887 -10.090 -10.415 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 4.290 -12.028 -14.638 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 8.854 -4.601 -4.674 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 5.116 -2.520 5.183 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -3.962 2.266 9.196 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 2.776 2.471 -7.927 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 3.778 2.923 6.767 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 14.206 8.783 19.113 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 -21.388 -9.655 -23.671 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 3.548 -5.441 5.910 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 -23.011 26.284 15.490 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 0.815 -9.328 -0.699 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 3.883 -3.578 -5.044 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 -9.192 -3.407 -22.438 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 5.477 14.519 1.838 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -0.400 7.570 -0.397 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -5.435 12.879 -2.514 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 4.249 2.739 0.625 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 -2.095 3.461 8.343 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 14.751 1.040 1.890 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 -2.208 11.553 11.746 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 -7.190 2.670 -1.946 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 -2.767 0.888 -5.149 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 4.933 -9.322 -31.073 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 1.228 0.740 0.965 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 -10.750 4.802 11.965 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 -9.361 -1.058 -8.403 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 3.128 -2.145 2.870 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 2.005 21.707 -11.551 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 12.193 -8.460 8.949 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 2.276 3.549 -5.844 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -6.039 -34.007 -9.679 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 14.037 10.066 -0.163 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 -2.305 -3.213 -4.108 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 25.434 -1.946 -4.305 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 1.907 -1.327 -16.591 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -3.388 -1.696 6.246 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 -23.560 -19.079 -1.294 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 7.517 -17.268 27.756 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -4.015 3.605 4.207 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 13.507 -15.363 9.750 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 10.492 10.480 -4.000 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 -3.926 -2.248 -0.023 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 8.517 -2.693 3.510 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 27.158 -15.703 -3.193 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -2.436 0.381 8.182 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 -7.282 -5.459 0.803 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -7.768 -4.879 -22.083 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -8.476 -3.137 -0.389 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -37.293 6.978 -12.848 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 -23.795 3.441 -4.050 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 3.612 -0.362 -2.324 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 -5.895 3.625 -8.712 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 9.424 -2.138 -19.601 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 -1.864 0.323 6.251 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 -10.369 -22.496 15.562 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 10.542 2.588 -17.701 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 1.838 3.199 -3.389 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 -18.239 -11.149 -15.335 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 -6.835 -19.903 16.638 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 3.924 2.815 2.057 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 3.514 -7.944 -25.757 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 11.750 16.571 1.841 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 1.138 2.139 -5.072 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 32.770 4.029 0.294 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 -13.472 -19.454 12.706 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 1.302 -4.264 5.792 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 8.610 -10.288 16.709 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 -8.953 3.619 -13.850 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 4.622 -1.919 1.981 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 4.624 -7.799 -1.195 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -0.915 0.604 -0.130 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 1.222 1.042 -5.169 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 1.305 0.240 -8.089 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 0.480 -25.342 -0.801 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 -7.064 3.203 -0.024 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 1.811 6.276 -2.417 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 -21.992 13.605 13.341 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 0.439 -1.288 -8.359 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 0.893 -4.239 -4.248 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 -12.371 -10.996 15.096 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -1.468 -3.821 -6.885 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 -5.712 -19.555 28.457 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 6.384 -16.415 8.276 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 3.830 1.688 2.680 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 -8.283 -11.445 -0.979 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 7.378 9.204 -14.300 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 -5.338 -2.441 -0.097 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 4.211 -7.508 0.089 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 12.590 -0.509 2.826 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 -3.901 1.525 3.096 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 9.804 9.242 0.574 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 -1.524 3.762 6.632 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 3.325 -4.746 2.379 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.747 3.005 21.217 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 -8.058 8.289 6.894 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -8.510 -2.984 -1.087 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -17.649 9.170 28.080 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 1.602 18.382 22.292 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 0.970 -1.708 3.830 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 0.063 33.821 11.889 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 29.947 -2.761 -2.915 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 0.370 6.117 -1.798 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 8.748 10.327 -2.436 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 12.547 13.119 -0.413 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 2.392 -7.607 0.032 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 2.230 1.942 -11.930 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 10.104 13.578 -16.383 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 4.818 7.635 4.287 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 0.621 8.726 -10.089 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 8.676 12.981 -2.497 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 1.324 5.739 -4.031 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 17.721 -6.746 -8.531 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 -11.538 3.265 -19.475 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 2.551 0.495 -4.010 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -9.582 3.931 5.617 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -9.585 14.421 -0.095 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 2.272 -0.639 0.540 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 3.440 -2.332 23.428 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 2.876 -7.381 6.274 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 6.418 6.554 -9.266 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 13.068 5.073 -1.973 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 17.672 4.279 1.597 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 -4.824 0.077 -1.390 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 0.434 16.001 -14.248 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 22.137 17.127 -9.841 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 1.370 -1.843 6.230 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 5.358 -8.486 -2.232 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 8.625 7.780 7.612 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -1.655 -4.030 -6.669 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 -10.393 -10.899 -7.268 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 6.781 -6.903 0.898 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 -3.023 2.102 -1.082 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -3.306 1.501 -1.009 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 2.520 1.628 14.536 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 -1.414 -2.616 -3.617 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -16.399 4.071 -13.333 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 1.015 -3.244 -13.393 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -3.356 -2.907 -2.473 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 9.123 -8.024 -8.901 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 -1.092 -4.331 -2.613 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -0.543 0.795 1.512 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 -12.721 -17.500 -0.183 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -4.014 -3.257 2.144 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -2.003 1.348 4.316 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 -13.807 -7.480 -19.436 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 20.487 14.424 -4.684 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 2.998 -0.717 -4.671 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 -3.008 16.087 6.511 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 13.672 6.957 2.463 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 0.705 4.584 -2.349 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -0.667 -6.398 2.335 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 2.060 1.380 0.994 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 9.125 -4.986 3.358 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 24.739 -0.029 8.749 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 -5.691 -7.106 -4.260 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -3.899 -2.616 5.647 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 9.287 -5.815 0.793 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -9.346 5.811 -4.506 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 2.045 -3.202 2.243 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 -17.601 -7.409 -11.991 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 8.224 -11.653 -9.219 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 9.714 -3.208 -0.437 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 -24.922 5.792 -22.842 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 2.958 -28.124 21.764 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 3.503 0.998 0.546 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 -8.888 -29.161 6.347 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 -3.881 -3.060 13.828 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -2.462 3.012 -2.475 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -6.943 4.781 -0.742 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 -4.105 4.912 -8.902 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 3.702 -1.895 4.693 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 -9.246 -2.587 1.249 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 4.120 -9.553 19.953 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 1.251 -2.932 5.357 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 3.090 -3.014 -8.966 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -17.997 0.727 2.854 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -4.919 -4.584 -2.296 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 4.148 7.698 14.661 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -3.228 -2.321 -3.007 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 3.569 -6.524 -3.948 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 11.238 -11.375 -26.677 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 -20.211 -3.421 -6.217 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -0.771 -2.604 -2.109 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 10.676 8.437 0.088 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 6.365 -0.856 -7.537 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 0.767 0.199 -3.092 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 5.677 20.496 2.760 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -6.947 -14.623 -9.809 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -3.155 4.003 -2.742 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -10.099 -13.393 9.176 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 -19.978 -26.343 4.285 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 2.425 -1.034 -1.503 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 27.145 20.480 30.686 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 15.380 -0.769 8.653 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 4.356 1.431 -2.341 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -11.230 -21.543 -5.507 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 -24.711 1.654 4.978 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 -1.997 -1.221 6.275 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -11.050 -0.163 -6.576 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 -0.030 -5.813 10.306 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 0.579 -0.049 3.256 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 10.119 6.266 1.361 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -22.399 -0.190 21.645 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 -4.309 1.499 9.411 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 2.844 -23.227 3.390 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -1.343 9.593 -7.957 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 -7.027 6.237 -10.552 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 -11.055 5.018 -6.539 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 -8.986 6.059 -8.057 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 7.597 2.959 0.726 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -18.318 22.333 -0.373 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 -2.598 10.225 -16.229 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 2.833 -1.811 -6.398 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -13.407 1.449 -22.738 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 7.127 -0.794 13.572 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 1.926 -0.798 8.495 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 2.402 8.469 5.181 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 -3.162 -11.817 17.146 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 2.589 -6.496 -3.844 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 33.460 17.120 13.010 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 -6.833 -1.040 0.338 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 -1.867 -1.180 -7.325 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 -8.407 14.298 -2.758 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -7.255 -12.376 -6.958 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 0.107 -2.429 3.011 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 -28.049 -28.731 1.791 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 -15.636 -15.574 17.951 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 6.637 2.678 -1.696 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 10.921 19.730 -11.144 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 3.821 -4.359 2.697 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 1.352 -2.802 5.902 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 6.630 0.800 12.143 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 0.912 -22.890 12.037 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 1.780 -5.071 1.392 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 27.956 24.512 13.586 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 -28.397 6.706 20.866 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 0.616 2.367 2.950 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 19.417 -40.795 12.417 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -6.693 7.148 5.951 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 4.624 3.753 4.067 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 23.534 17.877 12.321 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 4.676 -8.098 -2.335 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 -4.226 -5.932 1.322 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 -4.118 -4.684 4.481 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 -3.007 -4.071 2.873 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 1.018 -3.801 -1.155 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 -2.501 -5.988 3.638 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 3.096 27.184 1.090 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 1.259 -0.070 1.278 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 -7.056 1.043 -9.465 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 -2.719 -17.525 -5.772 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 6.183 -0.535 4.255 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 16.517 6.450 7.719 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 12.273 -8.888 0.833 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 4.054 -0.424 -2.367 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 -9.744 7.295 8.446 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 -6.250 2.669 3.534 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 7.813 -2.129 -3.447 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 27.840 17.987 0.360 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 1.800 -1.094 0.114 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 8.998 3.924 -1.575 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 -16.836 3.768 16.585 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 10.073 4.660 -3.351 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 2.600 -1.533 1.301 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -3.924 -5.350 4.134 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 -30.326 -26.240 14.749 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -4.889 -4.703 -2.568 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 -9.526 -15.081 9.887 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -3.688 19.959 0.342 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 -0.805 0.834 1.894 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 -1.394 -24.633 13.134 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 -24.241 -0.033 -7.798 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -4.196 8.971 0.775 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 5.656 1.530 -11.539 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -22.845 13.690 6.473 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 -4.229 -2.265 -7.852 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 2.272 -6.283 -9.307 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 -2.588 4.186 -10.405 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 0.795 -2.088 -5.173 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 -16.795 8.417 -11.917 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -5.304 2.114 -7.373 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -4.866 -2.302 -7.268 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 -5.807 -2.123 -19.968 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 -8.067 1.730 21.260 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 -2.632 -5.779 1.854 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 3.922 -19.884 -19.270 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 -4.959 19.189 -30.639 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 3.450 0.244 2.713 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 -2.767 -5.163 -11.323 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 5.476 -13.074 -3.990 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 0.584 9.062 -6.001 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 3.473 11.281 3.410 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -4.248 -6.303 -13.224 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -3.426 3.054 -1.816 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -6.897 1.041 -3.776 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 -0.939 2.574 -0.524 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 1.007 -1.973 4.006 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 6.353 0.271 4.269 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 -2.489 -4.580 21.304 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 -2.104 -0.271 -0.980 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 2.050 -3.447 0.541 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 1.948 0.897 1.950 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -1.742 -0.627 5.610 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 -2.722 -6.720 10.341 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 16.380 -18.568 18.471 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 -3.375 1.464 3.930 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 11.836 5.600 8.239 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 -8.053 -2.141 4.479 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 0.078 1.305 1.293 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 -21.660 9.757 13.010 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 -1.298 -9.358 -6.968 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 -6.241 -2.629 4.115 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 6.276 -6.736 0.861 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 -3.638 -4.948 -1.174 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 3.038 2.703 3.417 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 2.764 -8.785 -3.863 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -2.541 0.393 -21.203 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -4.010 3.785 3.392 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 2.019 6.136 -0.835 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 -0.080 3.609 -2.209 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -1.588 -4.674 -3.004 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 18.674 -6.627 -4.514 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -2.686 -7.651 -4.501 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -0.711 -4.095 1.821 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 -4.255 -12.650 5.445 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -6.275 -12.889 3.267 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -4.584 -0.866 -4.466 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -22.142 8.641 12.968 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 22.959 19.079 9.434 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 1.135 -7.639 4.780 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 35.025 3.625 11.312 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -18.452 -7.532 4.194 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -7.919 -1.439 7.438 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 -7.702 -4.132 -0.152 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 -3.769 -8.682 6.932 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 3.230 -2.981 2.554 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 0.025 -1.612 1.443 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 13.795 -5.208 8.873 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -8.620 8.437 -6.803 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 30.775 37.036 -1.556 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 1.423 -0.462 -7.357 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 4.069 0.830 -0.173 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -5.786 -26.354 -8.649 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 -2.282 12.117 5.968 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -1.208 3.789 6.241 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 0.315 2.121 2.995 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 -9.828 1.351 6.731 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 1.856 -0.502 4.779 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 5.517 2.449 4.430 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 10.525 20.453 14.983 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 -6.084 -2.341 0.540 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -3.382 1.657 14.345 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -10.033 -0.663 -12.102 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 2.384 -2.670 -2.652 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 5.631 -15.031 -16.905 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 -12.528 29.162 5.115 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 0.151 0.720 -6.483 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -2.561 -3.411 0.207 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -1.681 7.657 -11.829 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 -0.063 -3.507 -6.676 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 1.540 4.644 24.396 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 3.393 -2.711 3.617 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -0.291 -1.805 1.684 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -0.095 2.089 4.730 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 4.064 1.711 7.844 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 1.426 6.741 1.973 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 1.580 7.037 -0.316 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 2.082 6.049 -0.885 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 -6.756 6.342 0.380 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -10.080 -9.433 -4.938 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -0.253 12.502 -13.223 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 3.777 5.261 -5.819 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 18.422 -9.210 -8.026 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 28.097 -4.503 2.983 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 2.461 -1.916 -8.959 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 4.878 6.880 2.243 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 5.061 -10.927 -4.674 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 9.155 -5.186 0.187 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 23.224 -8.653 -7.777 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 -9.380 0.949 14.498 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 -3.496 -7.140 2.665 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 12.521 19.898 -3.703 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 6.185 7.989 40.908 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -0.577 -4.345 -2.819 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -1.331 2.257 6.848 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 -8.137 9.517 -14.879 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 -5.050 -2.958 -3.002 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -2.651 -27.721 -12.710 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 -6.525 -2.557 -5.454 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 5.227 -5.593 0.228 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 4.040 36.278 21.303 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 -2.505 8.699 -16.428 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -5.616 -3.761 3.626 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 10.212 -0.823 -6.295 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 4.823 3.518 -4.457 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 5.113 5.164 2.166 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 6.126 -6.980 -11.856 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 1.507 -4.437 13.211 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -1.123 -1.463 -7.078 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 -5.181 4.994 -9.468 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -9.479 7.634 -12.480 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 -2.938 2.165 -2.312 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 -7.842 14.118 24.118 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 6.443 -1.246 2.686 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 4.794 -6.835 0.550 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 3.323 17.002 -17.216 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 9.076 18.419 -3.930 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 5.963 2.941 7.635 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 15.503 22.402 8.843 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 1.418 1.562 24.868 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 -2.789 -1.518 -4.139 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 19.409 2.639 -12.950 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 9.215 -0.350 -9.745 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -2.018 5.651 0.978 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 0.232 -3.418 -6.235 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 5.441 11.939 1.406 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 1.328 3.005 0.242 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 4.737 12.043 9.386 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 7.359 3.560 -2.051 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 -2.063 -0.293 0.922 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 -6.562 1.474 13.728 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 5.003 -10.389 -3.062 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -2.486 -7.490 -5.808 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -7.968 6.197 0.728 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -5.917 -17.751 -24.539 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 4.092 2.297 -4.446 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -8.506 -16.181 -18.598 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 26.683 13.394 -6.012 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 -2.558 -5.951 2.186 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 15.814 -9.693 17.160 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -20.102 16.599 -22.571 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 3.033 -2.433 1.671 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 0.534 13.687 -2.154 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 -10.959 27.883 22.796 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 -1.995 -4.989 1.584 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 -6.225 -2.692 4.541 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 -2.842 -8.684 -0.158 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 4.412 -7.498 -4.184 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -4.493 1.823 -15.121 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 -5.217 14.961 20.545 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 -1.114 3.091 -0.747 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -3.827 0.884 -9.079 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 -6.784 2.019 3.260 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 -0.716 -1.040 0.373 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -14.958 -8.101 0.997 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 15.622 -13.334 -3.290 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 3.217 -2.677 -1.099 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 27.963 -25.975 -8.845 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 8.518 -20.021 5.563 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 8.225 -1.949 3.357 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 8.170 -14.490 -8.643 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 17.990 -9.474 -3.044 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 0.385 2.922 2.408 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -2.143 -3.101 21.505 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -13.556 -11.732 -3.117 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 -4.565 -1.584 0.840 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 -9.200 -0.319 6.477 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 -6.896 -5.785 -6.668 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 0.394 -3.021 -1.783 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 17.035 -3.602 -20.226 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -2.913 -8.255 -13.168 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 3.400 2.383 3.307 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -2.047 15.908 -1.239 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -6.233 1.281 3.489 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 -2.875 -5.161 -0.347 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 31.478 -12.637 -30.833 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 34.790 -10.649 -4.152 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 0.239 -5.092 -2.941 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 10.709 -12.683 -9.403 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 -7.765 4.641 5.575 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 0.451 2.104 1.905 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 8.543 5.149 11.714 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 13.346 16.306 11.402 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 6.710 2.841 1.658 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 16.641 -2.976 3.832 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 8.650 13.770 6.702 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -9.294 2.720 -1.273 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 7.535 12.708 -25.986 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 18.064 2.689 -1.909 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 1.303 4.841 -0.819 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 7.469 11.842 -2.320 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -11.681 12.010 26.650 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 6.486 3.010 0.218 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 -9.258 -3.826 20.266 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 -6.369 -10.700 -13.269 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 -0.340 3.854 -1.197 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 1.667 1.129 -2.775 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 -19.214 8.303 2.254 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 -0.713 5.437 3.685 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -2.601 5.720 4.375 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 2.286 7.652 5.298 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 5.351 -2.991 -3.102 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 1.111 -10.678 -0.551 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 8.498 -0.071 -0.657 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 3.226 -3.247 -0.025 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 -13.368 16.458 1.594 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 3.635 -3.668 23.355 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 3.154 -4.580 0.061 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -0.447 14.247 5.544 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -1.704 14.768 -1.887 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 6.580 0.270 -5.153 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 2.186 6.557 -7.605 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 3.640 -4.737 -11.672 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -1.111 7.470 -2.440 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 4.111 9.105 -16.545 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 0.963 19.289 12.887 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 -2.396 3.523 -2.362 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -5.762 -2.522 -7.829 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 -10.609 -12.938 -13.370 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 3.488 5.398 -3.655 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -2.307 -12.753 -1.471 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 2.823 -0.251 -1.779 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 6.185 5.357 -3.579 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 -2.109 -1.833 -11.289 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 12.709 1.441 -7.256 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -0.960 4.561 2.279 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 2.126 1.147 -2.096 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -7.825 7.772 5.638 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -1.185 3.807 -3.904 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 -23.920 -3.863 -12.162 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 -0.582 8.491 -4.908 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 4.248 -8.198 1.194 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -3.034 -6.118 -0.448 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -16.974 -17.645 9.306 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 6.286 -4.913 1.326 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 14.642 30.614 -9.382 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 5.989 -7.954 -4.360 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 2.525 2.424 -3.085 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 3.401 -0.755 -9.964 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 -11.745 -0.240 -4.498 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -2.370 -4.924 1.866 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 -2.246 -1.486 4.196 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -2.537 -2.068 3.441 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 5.414 -1.542 3.746 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 -11.095 -16.607 10.704 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 -21.037 2.190 3.101 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 -5.280 0.257 -2.723 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -3.011 7.421 -4.930 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 12.198 -8.142 -24.576 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 -5.193 0.028 3.468 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 24.199 12.319 -2.980 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -19.507 -2.102 7.217 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 6.482 0.656 7.927 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 4.314 -10.768 5.393 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 -0.606 -10.603 -15.592 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 3.247 1.640 -1.229 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -1.669 -6.260 -13.704 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 1.820 1.034 -9.242 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 5.174 4.339 -3.407 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -4.275 19.728 7.664 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 -6.129 -11.232 -27.159 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 -5.097 0.747 3.504 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 -1.712 -2.417 -12.003 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 7.947 -8.955 15.479 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 4.324 2.658 2.735 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 -33.800 6.581 14.921 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 18.657 0.724 -9.436 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 -3.449 -0.631 -1.735 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 -14.274 -7.044 3.792 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 4.441 -11.291 -5.478 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 0.961 -2.461 3.344 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 5.159 17.223 -12.330 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -0.134 -7.784 29.621 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 2.373 5.568 -3.840 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 8.410 3.040 -9.577 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -6.521 9.592 -2.821 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 1.922 -3.656 1.077 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 -1.966 -6.321 -7.984 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 6.804 -6.627 -6.320 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 9.653 -0.430 2.291 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 1.744 4.508 -2.272 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 2.481 6.837 6.746 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -0.824 0.654 0.895 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 23.471 -10.104 16.460 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -7.051 3.785 -5.215 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -0.949 1.471 3.098 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -37.216 15.379 -12.630 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -7.762 8.857 1.810 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 1.676 7.732 2.925 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 -13.635 13.284 1.030 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 -6.973 2.010 3.727 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -0.190 2.061 -5.333 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 13.410 19.082 -0.613 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 10.909 22.639 6.519 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 0.220 -7.778 0.441 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 5.506 -7.720 -6.696 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -0.416 -18.131 -17.357 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 -6.667 0.905 2.196 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 0.260 15.786 15.418 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 -2.520 8.317 -12.946 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 6.685 -3.320 0.907 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 2.588 1.564 5.656 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 5.518 -16.111 2.914 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 -0.041 0.448 -0.617 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 7.268 10.327 -15.801 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 18.831 -11.270 4.259 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -0.911 -2.598 1.460 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 -6.507 5.966 -2.357 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -18.208 -13.634 -17.685 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -4.000 3.644 -6.762 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 13.777 -6.022 19.003 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -6.064 -12.017 5.427 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 -4.392 2.411 -7.805 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -4.869 0.955 -17.945 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 4.827 14.598 2.048 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 0.769 3.886 -4.272 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 -20.284 -9.075 5.531 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 -5.677 -1.424 7.489 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -6.228 -7.814 -7.686 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 0.761 -6.577 8.558 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 -5.629 -0.745 -30.647 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 0.136 2.357 -7.317 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 4.996 -8.684 -1.247 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 -7.251 -6.932 7.492 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 1.554 0.774 0.151 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 10.665 -17.829 2.791 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -8.645 -5.273 -13.814 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -5.252 -1.389 -5.675 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 29.063 10.080 -7.135 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 -4.868 11.058 6.852 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 1.431 4.361 -3.178 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 4.311 1.810 2.999 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 21.374 -3.527 -1.646 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -0.351 -1.307 0.859 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 2.088 6.167 2.411 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 11.118 -10.505 8.149 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 3.883 1.459 -3.700 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 20.387 -5.412 12.827 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 3.925 1.127 -21.369 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 0.142 6.922 4.734 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -5.792 17.074 4.139 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 -6.489 1.154 18.926 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 4.164 -0.225 -1.584 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 4.288 -0.804 -6.608 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 5.512 3.504 -7.969 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 -0.434 0.057 2.664 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 -8.172 10.561 25.356 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 2.378 -21.070 8.777 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -4.730 -1.364 -0.654 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 0.576 8.395 -5.034 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 -18.586 -0.913 -6.141 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 1.762 6.239 -2.425 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 8.220 5.392 2.842 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -12.242 20.937 2.338 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -0.886 1.606 -2.391 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 0.258 23.261 -7.340 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -7.533 14.622 -0.431 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 6.653 -0.984 0.136 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -16.647 8.511 10.501 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 -21.184 -22.850 13.004 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 -9.473 -1.678 3.347 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -17.426 -1.609 9.854 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 -8.982 0.119 -7.684 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 1.952 5.306 2.533 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 -7.131 14.921 19.641 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 22.764 -26.132 0.136 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 3.993 2.557 -1.069 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 1.700 7.666 -10.511 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 20.515 -15.703 8.207 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 6.059 -0.234 -3.403 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 3.408 5.118 -7.613 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 11.823 -1.458 -2.317 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 -6.669 -5.041 -1.672 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 -12.892 -6.346 8.157 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 23.113 12.886 5.731 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 3.357 0.220 4.532 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 -8.273 33.791 1.462 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 6.472 0.761 5.218 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 0.266 0.514 -3.657 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 -0.291 -20.825 5.352 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 0.507 -11.739 -9.224 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -5.851 -9.420 -1.387 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 13.493 12.033 0.754 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 12.727 -21.608 16.550 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 5.146 -4.338 -5.011 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 0.148 6.760 16.859 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 -18.631 4.474 -12.448 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 6.011 -3.555 -1.282 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -0.233 -1.827 5.393 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 6.071 -4.072 -9.999 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 9.327 -2.224 -8.045 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 -10.028 10.142 -10.718 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 7.869 -32.407 -33.712 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -0.010 1.450 -2.626 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -7.801 5.694 6.335 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 15.257 -10.399 -0.552 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 -2.234 1.279 1.412 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -5.132 -3.741 3.748 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 0.483 -1.756 6.559 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 -7.985 2.612 1.989 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 11.181 -1.943 -1.957 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 6.230 8.838 15.710 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 1.146 5.226 4.070 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 1.027 -1.045 -1.551 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 23.398 -9.989 -4.708 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -1.584 -2.068 -1.556 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -9.966 -4.419 -6.550 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 -24.221 0.236 3.799 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 1.411 -0.089 5.887 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 -21.632 0.119 7.572 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 9.756 19.165 11.775 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 0.673 -0.844 0.099 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 -8.126 2.515 18.966 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 -13.697 -20.208 -12.799 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -0.184 -2.108 1.895 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 11.940 -0.436 -17.408 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 0.665 -1.497 2.596 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 2.129 -0.605 2.289 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 -18.332 9.605 -7.827 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 -6.867 -7.966 24.619 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -8.875 -3.210 6.074 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -11.555 3.185 13.094 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 -11.021 1.030 13.015 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 5.717 -1.059 1.540 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 2.663 -5.380 2.407 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 1.866 -0.751 2.406 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 -8.996 0.081 3.765 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 6.886 2.337 25.262 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -3.232 -1.511 32.143 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -3.566 -0.864 0.589 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -6.379 10.806 -14.191 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 -11.572 -9.017 24.595 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -2.886 -0.519 1.010 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 -3.806 -3.014 4.540 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 4.618 7.877 4.890 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -6.227 -1.988 -7.379 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -5.117 -22.536 -3.903 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 1.406 -7.668 -14.992 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 1.124 -3.001 -4.653 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 14.812 -10.048 2.737 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 -12.731 16.432 0.889 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 4.877 6.005 0.803 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 2.267 14.624 12.629 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -10.967 -10.340 6.429 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 -0.064 7.198 -4.717 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 -8.499 4.700 -8.411 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 -14.458 11.956 -20.661 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 8.030 1.572 -2.131 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 7.606 5.578 -6.791 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 6.262 -18.945 -10.158 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 5.240 4.840 0.938 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 9.076 1.814 -1.795 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 11.806 4.093 0.876 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 -1.888 -0.341 8.568 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 17.576 -7.981 -1.156 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 -6.838 -12.603 0.623 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 -2.644 0.239 -1.745 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 -4.701 4.888 -14.702 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 0.647 -21.256 -5.582 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -0.817 0.242 0.959 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 -19.580 -26.306 2.881 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 -8.192 -4.213 -32.724 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 3.951 -2.532 0.531 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 7.024 -13.522 5.030 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 25.255 10.172 -5.403 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -1.543 -1.141 1.590 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 -13.523 -3.327 2.945 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 14.913 4.478 0.310 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 1.291 2.467 -0.656 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 7.882 5.773 -5.505 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -5.252 11.262 3.997 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 -1.063 -6.417 -2.336 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 -14.096 -0.268 15.042 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 -21.553 -27.941 7.020 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 0.288 2.025 -1.344 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 0.318 7.830 2.533 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -1.540 11.304 0.192 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 -6.646 -5.063 -4.161 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 14.998 2.028 11.138 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -32.293 -4.916 13.725 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 -1.437 5.419 6.383 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 4.153 8.633 8.513 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 -14.621 -10.286 8.785 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -7.185 1.400 -0.484 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 -18.177 -0.144 -26.016 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -13.243 -3.317 -15.097 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -3.842 -7.513 -1.128 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 23.055 15.423 -17.543 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -27.014 2.495 6.797 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 1.926 -1.451 -0.864 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -7.934 -4.619 -0.970 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -10.289 -6.426 -3.211 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -2.854 2.956 2.224 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -3.001 6.475 11.700 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -2.386 12.348 28.060 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 -4.578 7.383 -2.532 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -5.562 11.917 -6.527 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 13.414 9.428 -0.994 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 -3.059 1.228 0.242 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 4.469 5.573 -4.719 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 -8.572 3.883 16.170 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 3.358 -1.161 1.569 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 -41.548 19.824 17.533 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 19.168 -8.804 -4.391 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 1.709 -1.278 0.730 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 1.622 -10.788 -5.105 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 -5.521 16.580 -6.689 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 11.335 -5.440 -3.706 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -2.126 -16.386 -6.145 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 23.465 -10.248 -14.855 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 2.001 1.648 7.560 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -8.574 -24.456 9.116 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -2.310 10.309 23.676 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -1.213 -0.559 0.075 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 -3.318 13.695 -1.415 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 5.860 1.408 0.807 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 -0.440 3.766 3.687 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 7.940 -3.924 15.637 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 10.634 -8.327 18.847 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -2.866 4.630 0.946 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 5.026 -17.808 -7.892 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 17.459 11.148 17.872 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 2.592 2.493 2.099 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -4.485 -17.139 20.510 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -2.078 15.218 -5.581 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 5.646 4.017 0.255 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 17.118 -1.946 9.261 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 11.776 19.727 -8.966 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -1.630 5.629 0.787 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 4.886 7.568 11.276 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 5.471 -2.931 -8.633 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 1.310 -2.046 0.760 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -0.399 -24.104 -17.097 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 20.518 2.889 5.927 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 2.017 4.057 2.031 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 15.397 -8.363 17.443 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -8.946 3.410 -27.123 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 -3.719 6.543 -2.569 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 -2.364 6.151 -9.107 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 -14.278 0.212 14.090 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -3.525 2.370 5.224 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 4.206 7.322 2.191 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 -8.332 -8.770 -1.483 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 -0.198 0.617 2.551 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 -3.515 0.018 12.101 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 8.671 13.289 -17.421 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 -6.654 1.045 8.287 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 -14.266 -0.301 -4.740 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 -15.687 -12.044 15.579 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -1.176 -1.372 -2.587 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -10.219 -4.831 -3.601 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 5.024 -9.485 -6.330 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -1.534 1.927 -4.452 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 6.661 4.317 -0.892 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 -1.250 5.892 -11.784 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -5.040 -2.237 4.275 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 -1.179 -2.058 -3.017 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 -12.093 -7.809 1.610 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -0.462 3.062 3.370 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -6.621 8.114 -1.674 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 -12.620 23.581 -10.411 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 5.529 6.038 -3.920 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 12.214 4.863 14.049 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -1.142 17.423 9.001 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -3.350 -0.267 3.808 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 -5.884 16.747 -22.994 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 -10.237 24.317 2.519 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 -0.033 -0.104 5.809 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 -6.935 0.630 3.087 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 9.621 -9.896 8.254 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 -6.824 1.854 -6.217 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 -8.429 1.096 -3.470 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -3.834 1.683 -10.025 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 -2.893 2.987 6.951 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 5.132 8.127 5.916 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 1.110 -0.943 7.531 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -0.490 1.068 -1.571 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 11.821 10.733 -18.201 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -9.064 6.510 -4.946 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 2.307 -4.633 3.144 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -6.739 -0.586 8.528 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -1.429 -3.119 4.988 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 1.574 -6.426 0.467 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -4.359 -6.074 13.844 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 17.456 -2.442 6.253 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -3.357 -0.629 2.442 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -1.131 3.530 -3.620 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -4.803 13.704 1.930 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 2.253 -0.347 -5.001 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -1.250 -13.690 1.481 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 4.976 6.399 -6.225 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 1.487 5.172 0.204 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -3.926 -14.581 0.215 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 5.320 21.637 -5.612 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 4.739 4.315 -2.993 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 -1.449 7.530 -10.709 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -3.442 18.273 9.567 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 5.392 -2.226 0.035 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -3.547 -9.787 -9.967 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -14.134 5.257 15.299 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 0.926 -3.604 7.308 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 0.493 -3.685 6.928 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 7.769 5.581 9.331 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 0.607 8.227 3.880 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 -6.109 29.672 22.971 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 18.670 -20.089 18.769 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -1.149 -1.816 -5.332 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 1.278 -0.424 -9.721 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 -4.240 -3.894 -0.282 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 7.070 -0.088 -0.242 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -12.801 -15.831 1.636 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 6.603 -2.081 1.046 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -11.735 7.505 2.800 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -14.538 23.054 12.292 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 0.390 -0.308 14.750 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -0.336 0.870 -9.124 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -5.645 -7.574 -14.444 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -12.342 -1.838 -19.760 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 -1.922 -0.171 -4.041 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 -7.589 -6.303 -7.539 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 20.971 22.032 -3.655 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 0.868 4.549 -0.841 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 -2.292 7.641 -10.991 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 1.620 2.449 2.916 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -2.025 -2.631 0.780 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 6.106 1.805 6.351 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 1.166 7.297 0.997 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 1.044 -4.293 1.661 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -12.867 -10.583 5.327 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 3.745 -4.087 -0.668 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 -4.098 -3.578 2.365 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -30.848 13.533 -10.370 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 6.991 14.955 14.435 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 -5.098 2.792 3.476 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 3.504 -2.583 3.487 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 -20.554 6.556 2.272 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -7.070 4.330 5.384 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 0.373 7.491 3.881 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -6.399 -6.667 1.442 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -3.288 -1.748 -0.087 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 14.118 -8.529 21.430 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -5.694 14.264 -5.735 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 4.403 5.166 2.069 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 0.192 -31.113 -1.274 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 3.356 -11.920 -10.283 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 1.584 -2.829 -4.400 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 -7.785 -15.267 -4.082 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -16.207 0.515 8.105 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 3.440 -1.458 1.070 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 3.301 8.177 -3.012 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -7.706 17.288 -4.008 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 3.596 0.125 -2.787 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -15.655 5.467 -14.756 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 -1.265 -2.105 -7.318 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 -1.327 3.076 1.828 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -1.653 -1.502 -9.721 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -9.833 -4.425 5.831 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 4.999 -1.891 3.626 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 -11.656 7.151 -5.324 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 -32.633 -13.383 -27.221 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 1.426 1.343 -9.002 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 11.467 -23.322 7.743 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 9.788 -7.286 -12.389 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 2.082 -4.470 9.139 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 -5.676 -15.314 8.251 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 -16.213 -21.182 3.772 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 3.496 -2.335 0.480 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 3.981 -16.402 -10.460 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -1.880 -10.918 1.787 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -3.646 -1.668 -1.976 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 1.914 4.630 -20.491 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 -2.718 -1.454 -3.265 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 1.612 -0.563 0.526 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 4.119 -0.400 -0.631 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -18.134 -5.642 12.452 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 0.578 -0.703 -1.432 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 9.237 11.036 -1.259 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -5.490 -4.548 8.627 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 -2.270 -1.278 -6.817 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 4.542 2.235 2.898 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 24.303 1.380 -1.293 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 2.177 3.443 5.719 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -16.836 30.192 -5.035 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 12.181 -10.994 -9.442 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 2.192 -1.906 -0.999 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -8.434 2.286 -8.106 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 4.395 13.675 -3.787 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -0.006 2.271 -2.598 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 15.228 3.133 -8.009 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 -7.542 1.014 -7.053 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 3.721 -0.820 1.485 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 27.149 -5.860 -16.332 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -15.392 3.487 16.175 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 -1.257 2.850 -1.174 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 -11.117 -15.253 9.304 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 21.287 12.795 13.354 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 -1.852 -3.200 -1.833 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 -2.011 17.819 15.304 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 8.031 -1.192 14.693 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 -0.597 4.590 14.981 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 22.987 8.797 -22.047 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 18.067 4.071 -4.082 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 -0.857 -3.884 -5.860 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -5.983 20.040 -20.517 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 5.048 -9.194 12.537 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 6.034 2.007 -1.373 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 13.601 -2.391 -11.049 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 7.201 -5.150 -11.095 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 -0.483 -5.600 -5.187 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 11.925 -6.767 3.708 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 30.158 -9.625 -3.105 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 -1.595 -2.677 8.205 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 10.139 -8.033 -12.664 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 -13.705 13.943 4.963 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 0.200 4.699 3.030 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 6.455 0.438 4.701 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -7.249 0.885 14.516 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 4.553 -1.904 -3.254 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -3.673 9.957 -4.547 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 10.688 -0.846 4.846 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 6.097 -2.506 -2.955 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 12.643 14.084 9.994 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 10.886 7.921 -25.560 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 1.671 -4.218 -1.292 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 29.358 20.502 6.663 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 -17.320 -13.057 34.864 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -4.747 -3.225 -2.051 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 17.343 18.444 -3.091 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -6.160 13.502 -19.210 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 -4.087 -3.206 0.714 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -9.681 -0.463 -2.293 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 -7.776 -11.041 0.538 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 2.578 -0.869 -0.554 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 12.793 -19.320 4.506 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -0.578 6.093 -12.182 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -0.538 -1.475 0.149 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -9.507 0.856 1.636 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 -12.422 11.992 -21.046 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 10.369 -0.103 -4.693 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -1.274 -8.165 -1.411 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 -0.850 -2.186 6.373 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 2.514 -6.351 1.371 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 10.006 -19.044 -12.993 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 -2.373 1.751 10.938 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 -2.361 -5.819 -1.367 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -29.018 -17.643 -0.109 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 6.292 5.379 1.559 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 -0.298 -7.075 3.312 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 -3.204 -12.986 -5.703 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 18.729 -24.092 16.863 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 3.391 -0.477 -2.098 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -2.435 3.620 -14.108 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 0.553 -19.577 3.170 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 0.990 0.067 -3.641 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 -21.173 16.927 -6.054 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -10.700 -16.615 -21.255 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -4.546 1.870 -0.267 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -15.237 18.651 -12.676 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -13.250 -9.025 18.574 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 4.885 3.885 5.950 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 -1.367 5.719 5.539 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 12.658 2.071 7.379 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 1.759 -0.307 -5.992 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 6.032 -2.238 -4.466 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -0.201 10.677 -13.310 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 9.453 5.644 -4.198 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 38.861 -2.744 -4.569 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 1.159 1.945 5.465 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 6.176 0.501 3.983 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 9.634 -6.043 -4.770 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 27.699 0.038 4.170 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 3.445 2.866 -1.343 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 -5.910 3.502 -31.166 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 -2.960 0.164 -27.087 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 2.862 -1.557 0.535 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -2.932 1.907 3.223 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 -0.350 -0.049 2.261 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -1.476 -5.501 -9.901 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 5.811 -8.393 -20.170 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -1.832 -5.750 -7.196 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 1.777 -5.947 4.108 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -6.719 0.184 16.799 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 -14.136 -5.440 -9.091 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -5.868 0.276 -1.636 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 6.614 18.950 -8.275 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 28.820 -3.066 -10.399 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -2.726 -2.318 -4.903 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 20.373 -14.495 2.702 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -1.588 11.777 3.008 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 -5.856 1.239 0.213 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -2.488 -2.602 -0.492 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 7.202 -16.649 -1.606 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 6.250 -2.549 1.379 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -9.346 16.127 -7.450 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 -1.869 -3.525 -5.494 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 4.259 2.305 -0.708 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 9.994 0.006 19.064 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 1.396 24.849 7.220 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 1.129 -3.250 1.620 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 2.683 -9.560 -0.537 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 14.780 -4.049 -8.227 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 5.074 -0.377 4.201 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 -13.974 -18.232 -18.646 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 7.894 7.208 20.450 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -0.361 -2.117 0.603 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -8.294 -19.690 -1.671 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 4.462 9.279 1.698 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 0.622 7.046 0.480 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 -5.504 -5.786 -4.600 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 0.587 5.995 5.756 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 -4.318 0.902 -1.803 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 -9.325 5.784 2.900 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -0.539 -7.174 4.240 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 2.342 2.415 2.165 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 -7.387 28.521 1.369 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -4.806 6.607 16.461 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 2.409 -1.677 2.369 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 11.071 -3.464 -16.139 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 -19.536 -1.136 -3.105 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 5.224 -1.805 -2.913 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 -8.491 -1.162 10.685 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -2.369 -2.187 3.564 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -6.311 0.890 -0.044 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 0.833 8.066 11.221 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 2.845 7.904 -14.381 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 -0.332 -1.143 -4.527 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 -0.821 8.198 3.359 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -7.686 -10.509 -5.355 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 5.915 2.306 -6.959 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 18.300 -8.361 -3.894 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -8.319 -4.509 -4.050 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -3.917 -9.100 -0.123 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 4.197 10.592 12.261 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 -11.760 -8.209 -7.769 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 -2.930 -2.540 0.075 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 -21.331 16.974 2.307 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 -5.289 -10.867 1.902 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 4.356 -1.802 -6.006 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 0.037 -4.620 2.999 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 9.100 -2.728 -7.590 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 2.322 -3.071 1.910 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 16.638 -0.198 4.941 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -7.099 7.142 7.503 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -4.785 6.001 2.498 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 -21.650 -15.173 8.406 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 0.867 -1.294 -21.945 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 -1.138 0.423 3.420 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 -6.026 -12.186 -12.015 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 -11.604 17.845 -2.346 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -4.684 1.005 -1.384 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -10.493 5.886 -7.188 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 -0.975 21.515 -12.152 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 1.965 -6.617 -0.406 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 12.662 3.318 5.980 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 -7.854 -6.201 9.196 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -8.199 -7.403 -0.376 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 27.007 -9.289 -6.981 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -17.991 23.604 -16.504 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 -2.110 0.072 -1.376 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 3.263 -3.080 -11.316 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 6.948 4.429 5.537 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -5.734 -2.989 8.170 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 22.463 -17.266 11.106 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -15.154 6.645 8.022 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 0.260 5.528 0.039 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 6.274 -9.436 0.169 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 -0.738 1.051 1.363 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 3.425 -1.982 0.851 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 24.451 9.555 -46.797 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 -1.108 -5.451 -20.166 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 -2.843 0.596 2.069 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 -2.334 -8.655 -14.928 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 10.639 11.264 -5.049 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 -4.635 0.222 -3.880 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -1.416 9.156 -11.646 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -7.707 -6.145 -1.394 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 -7.724 3.304 -1.875 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 0.976 -10.924 7.346 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 -17.680 0.933 -0.209 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 2.192 3.239 -0.194 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 19.419 13.254 17.451 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 10.822 2.290 2.532 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -2.431 -2.507 0.389 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 -4.559 -2.315 0.019 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -22.600 6.442 -4.174 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -0.357 0.299 1.541 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 5.331 -9.316 -15.431 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 2.467 3.191 -1.808 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 0.017 0.349 3.821 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 5.772 0.226 6.105 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 -9.528 3.511 -1.676 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -2.104 -4.938 -0.430 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 -5.768 -3.328 -0.442 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 -16.129 6.942 -13.793 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 9.217 1.988 7.113 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 9.508 -11.370 18.532 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 9.281 -14.702 12.751 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 -0.401 4.415 0.535 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 9.087 18.479 0.263 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 -19.213 13.714 8.597 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -8.186 1.666 -3.712 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 -4.209 -1.694 3.340 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -12.186 2.975 5.430 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 0.225 -4.205 -3.994 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 8.628 6.106 6.660 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 17.630 2.397 -2.723 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 6.293 1.588 -5.212 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 -0.087 4.121 -2.627 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 -0.200 6.237 -14.785 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 -2.810 0.410 -0.909 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 6.436 6.702 5.126 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -0.016 -11.472 6.672 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 1.377 0.139 4.704 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 9.419 -12.808 15.368 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 5.241 0.520 3.225 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 4.458 -4.259 10.808 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 12.295 -2.211 4.174 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 8.775 9.687 -5.655 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 10.085 1.724 1.662 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 34.952 -2.261 13.971 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -11.086 14.875 17.528 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -3.422 2.126 1.996 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 0.459 -18.125 3.825 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 16.698 -0.317 16.702 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 -3.333 2.136 0.476 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 -7.084 14.162 -2.361 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 13.861 7.192 -0.517 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 0.504 -0.892 -3.582 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 2.437 -0.821 -14.295 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 4.590 4.061 4.570 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -7.121 0.047 0.590 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -9.763 -5.624 4.726 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 3.366 -6.557 -7.602 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 1.147 -0.813 -2.361 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 5.507 -15.589 -10.544 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 9.734 -0.129 24.108 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 -0.895 7.563 1.813 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 -11.211 35.839 -26.212 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 23.775 -3.724 12.160 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 4.243 0.939 7.701 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 -5.087 -2.792 -7.455 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -9.499 -6.099 -9.465 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 0.120 4.513 -1.377 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 5.022 5.736 4.551 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 13.278 10.097 16.235 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -0.310 -1.128 10.739 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 -13.727 -17.524 18.362 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -3.035 -1.808 -5.624 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -0.941 -0.325 -3.368 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -1.365 7.649 -4.355 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 -3.927 -6.611 5.306 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -6.705 -7.403 1.111 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 28.423 3.478 -9.354 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -4.095 0.258 -3.716 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 2.012 -5.074 2.186 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 -9.545 6.842 6.747 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -13.608 5.461 1.313 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 0.033 3.743 -3.030 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 0.699 3.807 -3.450 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 6.224 -5.535 -7.467 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 1.687 7.884 0.461 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 1.827 22.503 7.125 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 0.555 -6.167 -6.168 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 -4.129 -5.367 1.388 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 -8.914 6.403 -3.728 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 -16.329 -8.108 14.950 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -0.386 0.637 6.303 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 -5.400 -7.218 5.223 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 6.970 19.089 5.704 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 1.395 -8.028 -1.712 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 14.735 8.292 -15.047 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 6.338 11.165 -14.019 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 1.920 7.782 -0.515 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 4.090 5.080 4.358 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -3.364 10.564 1.336 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -0.032 3.127 -6.869 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 -1.521 -7.254 -2.634 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -6.444 -8.085 -3.412 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -3.770 3.865 -1.135 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 20.149 -32.676 18.100 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 -4.369 -8.133 -2.233 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -1.795 4.016 -1.834 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 3.727 -6.022 -4.323 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 -2.316 8.792 -12.045 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 -3.410 1.650 -1.285 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -14.000 -4.827 24.227 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -13.749 -4.873 24.027 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -7.067 -1.321 9.346 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 -9.943 1.954 5.653 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -7.202 -8.317 6.610 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 1.091 -1.314 -3.269 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 -13.011 -3.181 -14.081 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 -7.293 -4.714 -14.775 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -1.045 -3.907 -1.170 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 -6.889 -11.934 -3.767 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 -9.214 2.154 -9.601 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 8.538 -0.289 -1.988 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 20.761 19.340 -9.324 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 9.137 -0.857 7.222 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 2.213 -0.803 -5.724 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 10.249 21.880 -7.673 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 -3.799 -7.177 -28.625 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 2.029 -0.801 0.542 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -8.169 -6.905 20.947 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -7.918 -3.251 16.602 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 1.442 0.514 -4.611 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 9.842 0.450 -9.182 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -14.998 8.561 -25.514 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -7.897 0.521 1.260 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -14.860 5.273 -1.877 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -0.885 -2.689 -6.079 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 4.556 0.710 0.936 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 5.361 -2.906 0.464 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 3.713 3.622 4.291 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 -5.784 -0.094 0.794 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -9.153 6.760 3.497 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 -0.934 -1.534 6.073 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -5.504 -2.668 4.734 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 8.837 -21.675 7.062 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 6.073 1.432 13.053 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 3.346 5.086 7.715 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 3.703 15.279 -8.312 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 2.464 17.550 -2.054 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 -0.224 -2.576 0.738 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 -3.350 -9.049 1.752 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 -0.658 -0.410 -6.771 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 4.108 -5.113 -1.356 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 11.262 16.875 9.385 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 13.003 11.435 -24.620 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 1.914 0.048 -3.800 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 3.834 -3.214 14.238 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 5.368 -4.535 19.057 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 0.037 -0.366 -1.764 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 -9.670 -35.196 12.620 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 2.361 21.506 -9.789 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 3.366 -4.608 3.817 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -8.686 -19.936 -5.020 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 -7.178 -12.610 -4.024 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 -2.227 5.158 -1.653 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -12.156 1.801 -4.950 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -9.493 -3.270 0.412 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 0.768 4.674 7.614 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -1.879 21.271 0.505 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 3.545 2.866 -8.025 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 0.947 -3.124 2.833 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 5.720 -1.935 6.751 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -4.596 2.218 5.212 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -3.981 3.045 -0.165 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -2.016 -4.962 15.519 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 4.462 11.063 7.829 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -7.450 -1.986 5.418 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 -14.486 43.026 36.542 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 0.937 -0.618 0.177 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 2.716 0.474 1.847 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 -11.182 14.045 11.697 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 -10.981 -16.967 -23.973 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 1.187 -3.184 -2.537 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 12.329 -6.721 -4.685 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -24.420 0.421 -13.982 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 0.217 -4.147 1.918 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 0.542 0.715 2.976 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 2.195 3.715 15.656 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 0.556 -0.874 -5.038 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 1.164 2.974 -7.889 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 3.323 -5.364 -6.496 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 4.613 2.509 -2.079 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 4.720 10.496 -8.161 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -1.276 36.985 -23.086 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -1.175 -2.957 7.743 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -11.547 -10.261 16.048 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 19.258 18.434 31.728 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -2.728 -1.369 2.578 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 26.134 1.850 9.262 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 29.059 10.368 10.764 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 -9.111 -0.301 -0.233 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 8.103 -7.081 -17.931 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 3.154 -2.485 -19.162 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -3.747 -4.023 -0.079 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 -17.776 -13.152 -7.224 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 9.548 -8.884 -11.291 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -4.384 5.607 11.078 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -2.990 15.350 9.631 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 11.811 -5.035 11.071 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 4.969 2.835 -3.257 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 22.800 -9.263 -10.073 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 16.540 -6.542 -12.891 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 -4.657 5.115 4.529 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 -23.898 5.278 -8.819 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -15.687 5.995 -2.249 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -2.651 -1.825 -6.114 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 5.702 5.905 -1.111 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 -12.081 1.008 3.537 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 3.785 4.260 -0.404 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -8.178 1.395 -6.901 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 0.224 16.280 6.064 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 3.260 3.076 0.290 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 -0.038 -14.634 8.712 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 -10.242 0.441 0.718 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -0.616 -1.119 4.301 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 8.833 11.583 12.879 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 9.656 9.392 8.243 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 1.908 -2.411 -4.267 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 14.289 -13.646 17.097 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 14.008 22.734 16.846 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 -2.390 2.337 3.439 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -17.030 -2.385 -5.827 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 0.439 -10.117 -11.950 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 9.823 1.850 -6.399 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 -5.267 8.164 7.399 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 0.988 -11.850 -17.285 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 -2.929 -2.107 -1.389 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 14.226 -10.633 -16.400 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 2.381 -2.844 3.992 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -8.369 4.170 0.142 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 2.300 -6.147 13.583 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 -6.590 -7.022 -14.740 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -1.189 -0.360 5.382 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 11.369 -7.858 -19.376 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 2.226 -18.332 -5.430 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -3.490 0.624 -3.558 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -2.568 -0.660 -5.878 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -5.424 7.720 0.120 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 2.634 -0.165 -4.241 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 3.957 0.080 1.643 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 1.832 -24.724 -8.636 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -3.463 2.080 1.363 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -6.891 4.311 5.292 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 -4.192 -2.079 7.814 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 1.983 6.626 -1.724 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 11.657 0.672 13.593 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 2.013 12.701 -9.028 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 4.671 6.298 -3.742 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 8.521 -6.879 -4.024 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 -6.310 18.243 1.672 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -5.184 3.694 -0.547 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -13.277 -12.625 -1.562 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -23.991 -13.351 0.361 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 0.575 -4.240 1.833 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -9.838 -9.171 3.224 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 -6.133 -9.186 -6.864 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 3.997 0.962 1.695 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 -9.820 22.884 10.994 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 2.467 -0.508 4.815 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 4.277 0.864 -5.460 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -15.260 -23.174 -4.993 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 4.948 9.957 -17.169 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -1.199 6.003 0.353 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 23.613 5.987 -7.392 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -5.355 8.978 -9.474 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 -1.454 1.886 1.709 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 -17.193 -1.643 -2.161 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 8.465 -3.418 1.990 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -3.308 0.877 -1.386 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 0.472 0.843 -3.213 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -5.384 -2.160 -1.441 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 -5.020 0.762 3.407 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -2.619 15.617 7.505 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -0.794 -17.818 4.967 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -9.408 -0.452 -4.638 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -14.771 2.294 -10.569 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -3.599 -3.957 0.786 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 0.064 0.948 -2.987 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 -11.463 3.658 -12.528 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 17.534 -2.107 11.071 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 -7.963 -1.402 0.529 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -11.846 -1.562 5.702 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -0.879 -0.654 -8.817 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 1.710 7.245 -10.970 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 28.623 -16.931 -4.637 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 8.899 6.335 -6.319 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 1.444 3.089 5.077 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 2.763 -4.388 -0.471 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 12.009 2.800 -13.757 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 1.811 6.373 -2.094 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 11.216 -6.406 -5.605 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 3.226 3.213 -2.708 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -5.053 -3.617 4.170 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 -16.160 -3.101 -3.277 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -14.922 -12.924 -15.691 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -0.138 2.232 -1.117 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 -2.154 -4.834 0.689 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -12.655 2.631 -2.635 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 -5.588 -2.708 1.008 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 -11.892 -5.673 -3.261 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 12.855 7.498 17.101 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 -0.650 -9.170 -4.305 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 12.526 -7.944 4.609 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -18.739 10.818 19.541 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 1.763 4.751 -0.791 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -8.110 18.463 11.694 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 5.913 23.029 -1.280 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -2.624 0.752 2.536 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -2.593 -4.128 4.692 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 5.286 28.072 -7.227 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 1.393 -1.344 -3.887 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 -8.083 9.618 6.749 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 -8.841 -19.893 -16.784 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 4.792 -5.337 3.249 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 10.380 5.775 0.586 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -12.780 -28.484 13.343 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 9.962 -2.787 -4.627 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 6.543 -3.028 -5.743 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 8.824 -3.506 -8.498 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -1.889 -7.381 1.541 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -2.097 -13.436 -1.778 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 -5.636 -11.463 6.286 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 -2.178 4.459 5.431 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 -1.884 -5.153 15.725 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 -4.234 -2.122 8.505 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 8.131 2.748 -3.147 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 -8.073 7.122 19.751 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 -6.251 -10.059 -5.440 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 6.553 0.954 -3.007 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 13.494 -12.585 -7.347 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 -5.419 1.545 7.384 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 6.040 -0.178 4.442 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 5.756 3.529 6.953 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 10.567 15.435 10.009 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 3.945 3.874 2.828 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 17.180 -18.557 5.006 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -2.499 18.411 -0.066 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -1.444 2.273 1.003 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 10.884 11.275 10.398 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 8.125 2.271 -7.302 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 -2.239 0.602 4.710 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -4.499 -0.287 7.785 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 -9.649 -0.827 -8.570 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 2.764 -2.773 3.348 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 18.831 6.458 -19.803 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 13.888 -9.007 17.928 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 2.487 -0.053 -1.024 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -1.463 5.266 0.530 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 5.656 2.879 14.488 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 -1.072 1.823 1.455 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 1.035 -27.851 1.384 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 -7.090 -7.121 1.032 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 -1.295 1.938 0.507 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 -8.721 -2.977 -9.523 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -14.072 -2.829 7.978 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 -5.163 2.372 2.161 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -5.475 -16.718 4.356 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 8.168 -4.869 4.908 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 5.337 3.085 0.948 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 6.544 3.116 2.401 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 8.123 1.897 -1.416 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -0.077 3.463 0.761 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 5.376 11.188 2.030 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -10.141 4.639 -0.500 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 4.604 5.815 -0.212 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 16.092 2.809 14.755 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 1.329 16.156 -0.664 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 2.273 -3.290 -2.493 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 6.810 1.887 -7.234 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 7.934 7.952 -13.868 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 2.140 -3.055 -2.011 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 -13.084 -30.466 13.710 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -0.525 -6.587 -7.523 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -7.316 3.101 -0.410 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 1.646 18.251 -2.290 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 -0.750 -6.031 10.419 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -3.446 -2.970 4.057 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 -13.505 9.908 15.587 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 8.930 23.818 -8.137 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 1.202 1.419 -1.762 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -8.469 37.652 -4.882 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 -8.260 0.860 -2.529 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -2.635 -1.645 -1.272 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -31.649 5.841 2.586 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 12.743 -0.622 4.309 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -0.156 4.326 -4.010 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -16.723 0.943 14.207 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 16.354 7.784 -21.303 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 -6.584 3.937 5.437 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 7.508 5.952 20.057 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 6.996 0.490 2.079 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 5.985 -2.316 -3.120 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 5.100 0.534 -2.196 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 15.713 -25.543 -5.225 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 4.357 1.989 -8.279 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 6.262 -16.755 15.863 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 18.045 9.090 -23.624 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -2.542 1.637 2.600 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 3.042 2.747 -8.292 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 3.854 1.006 -12.814 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 -1.405 1.901 0.172 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 0.047 -42.291 -1.755 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 0.979 30.711 1.735 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 -0.330 -2.265 1.188 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 7.235 3.931 2.075 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 23.582 13.526 2.848 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -5.342 2.107 -1.136 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 -3.877 -23.478 -20.389 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -4.840 -5.353 -7.820 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 8.199 1.303 3.887 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -12.601 -1.322 -11.650 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 -25.534 -7.491 -18.703 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 5.876 -6.613 6.654 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 22.473 12.997 1.988 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -3.552 -2.325 31.374 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -0.907 3.856 3.843 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 2.718 -2.678 6.790 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -3.748 1.010 -1.673 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 -3.971 -3.502 1.647 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 4.334 13.335 2.155 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 -3.274 -7.582 3.176 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 2.251 -6.687 -3.882 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 3.255 -4.481 8.839 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 10.876 -7.982 2.381 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 -1.649 2.269 0.453 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 -3.926 -2.667 6.858 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 3.020 7.087 1.161 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 7.654 -7.257 3.170 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 6.337 -3.462 2.996 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 4.203 16.402 -6.849 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -4.798 3.855 -5.461 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -8.239 3.041 9.483 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -4.938 -11.483 -1.087 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -5.810 -5.165 -0.034 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -9.111 -7.528 -7.981 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -8.737 16.597 -20.840 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 0.763 3.139 0.873 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 -12.884 3.748 20.222 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 16.416 32.831 3.239 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 -1.896 -6.397 -0.436 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 15.495 18.944 -25.839 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 5.053 -17.401 -4.267 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 -5.269 -3.833 2.152 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 19.678 -11.585 23.219 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 9.282 -6.505 -23.394 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -0.219 1.206 -0.573 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -17.299 3.908 4.528 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 -36.530 5.850 8.259 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 4.103 -1.038 0.583 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 2.577 0.092 1.046 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 4.075 -1.860 0.424 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 -0.375 -0.812 0.522 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 19.032 1.320 -12.785 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -8.495 -6.014 8.264 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 -3.027 5.345 1.754 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 1.095 -10.916 -2.592 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -0.923 8.682 1.395 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 0.057 -2.310 -0.269 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -0.290 0.908 -1.942 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 6.138 8.803 -25.924 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -1.015 -2.289 2.614 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 3.208 5.260 -15.817 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 -21.719 -5.239 -3.903 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 1.523 -1.897 -0.364 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -4.757 -9.402 -0.991 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 -3.885 4.623 -4.225 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -0.404 -7.786 -0.343 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 -2.846 -7.725 11.711 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 -11.339 -7.017 -14.016 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 -5.067 -0.852 1.869 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 -8.094 16.031 -22.090 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 26.356 4.326 2.920 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -2.314 -5.495 3.151 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 -0.332 11.764 -15.053 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 -6.057 -13.020 36.899 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -5.234 0.655 0.082 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -14.422 -1.929 -9.505 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 10.281 -8.280 -11.486 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 -4.796 0.577 -2.246 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 -6.224 -3.856 8.964 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -0.929 -2.397 5.426 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 2.900 1.929 5.242 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 11.780 17.785 10.737 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 -10.913 -0.896 -8.628 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 0.317 -3.215 1.712 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 8.419 13.368 1.585 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -13.086 -15.507 1.669 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 2.872 -1.424 -2.788 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 -9.244 -0.084 -4.323 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 9.852 -9.382 13.496 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -4.640 8.776 4.037 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 -11.058 17.308 8.554 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 4.977 10.185 8.732 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -1.201 2.175 -1.415 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 0.415 6.001 -4.001 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 2.995 -8.875 6.431 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -2.623 3.009 -1.116 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 5.940 2.273 1.505 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 1.540 -3.588 15.165 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -0.640 5.830 3.112 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -11.985 -7.148 -3.618 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -4.170 2.581 1.846 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -2.713 -3.941 -0.623 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 1.867 -20.164 -26.660 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 3.520 14.308 6.867 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 1.409 -9.933 3.474 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 9.642 -26.820 -3.297 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 0.507 -23.245 -2.345 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 3.089 1.434 7.261 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 -10.967 13.672 11.205 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -0.948 0.450 -6.155 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -1.602 4.276 4.726 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 3.583 -2.717 2.383 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 -8.171 -5.340 2.685 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 -8.149 6.524 -1.827 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 3.422 3.281 4.717 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 1.318 -26.985 -0.704 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 -2.982 0.591 5.280 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 17.626 -4.792 5.484 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 -3.918 -4.876 2.841 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 2.103 4.263 -2.843 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 8.513 -22.112 18.406 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 -9.108 -2.942 -11.607 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -0.774 -1.612 -6.599 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 3.254 3.703 -8.458 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 -13.474 -3.007 0.972 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 6.057 5.394 2.482 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -0.787 -7.026 21.018 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -12.902 11.213 -5.665 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 0.544 1.055 -8.155 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -6.988 -18.739 12.956 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 37.307 10.646 5.226 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 1.767 -0.617 -2.049 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 8.821 -2.982 29.581 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 3.121 0.352 9.659 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -2.754 2.060 -7.356 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 2.583 -8.937 6.237 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 6.310 0.802 -13.656 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 4.897 4.341 0.019 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 1.373 2.601 -3.619 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 14.481 -17.807 1.667 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 -2.867 1.255 0.190 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 -7.639 12.595 3.186 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 1.793 -34.336 -7.884 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 -1.348 -4.059 3.557 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 6.456 4.438 24.964 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 15.384 6.829 -25.487 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 -0.582 4.178 0.464 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 7.217 8.743 -19.892 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 -8.523 -5.723 10.353 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -1.520 4.161 1.870 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -1.280 -6.462 0.206 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 13.941 24.252 -6.746 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -1.050 -1.959 -1.292 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -10.186 -1.737 5.231 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 -0.007 2.819 -5.871 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -4.327 -3.300 3.455 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 -7.821 0.960 -14.909 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 4.378 1.533 -1.754 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -4.789 2.926 6.499 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 -22.828 1.306 -24.790 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 -9.528 4.485 -3.514 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -1.577 0.956 0.717 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 9.265 26.554 -9.079 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 1.365 -18.626 -24.748 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -5.315 1.239 -0.467 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -0.846 -6.070 -17.374 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 -9.037 -6.212 2.270 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 0.649 -2.633 -0.002 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -30.586 -5.259 -18.694 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -8.573 -5.553 -14.464 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 6.332 10.531 -6.752 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 2.421 11.383 -7.476 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 9.976 8.104 -1.794 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 -7.333 4.136 -3.703 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -31.998 -15.946 25.369 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 0.466 9.420 -14.810 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 -0.026 -2.464 6.056 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 21.344 21.985 -4.112 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 16.935 13.583 -40.196 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 2.020 -2.136 -0.223 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 5.021 5.011 -7.563 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 -4.250 4.015 5.591 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 -2.147 0.020 -1.544 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 0.591 -4.053 9.795 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 -2.864 -16.969 5.626 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 4.508 -1.003 0.418 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 17.353 -22.516 -11.352 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -15.777 -8.940 9.263 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -1.412 -0.294 -2.707 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 11.879 11.291 -2.946 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -7.393 18.258 -1.027 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 4.100 -0.778 -7.321 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -3.939 5.599 -8.580 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 12.762 -8.131 -12.319 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 -4.973 -0.043 -2.428 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -19.250 -4.659 -5.414 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 10.993 2.093 -4.656 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 1.062 1.201 0.908 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 21.248 5.409 21.584 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 7.018 -0.849 1.224 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 1.238 -1.364 -2.946 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 3.924 -5.417 -5.831 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 1.303 3.392 -6.048 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 3.741 0.543 4.598 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 9.413 -21.300 -7.025 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 9.443 -24.266 12.364 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 1.474 1.357 1.599 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 3.722 -2.538 1.220 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -0.118 -12.541 1.637 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 5.680 -3.049 -2.322 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 4.376 -10.813 -0.744 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 16.409 6.708 -27.265 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -2.063 -2.740 0.298 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 2.153 -8.985 4.086 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -11.645 6.354 14.677 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 -7.379 1.133 -0.287 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -13.191 -4.915 -11.321 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 -5.382 2.048 20.710 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 0.375 -7.486 -1.535 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 5.624 -8.173 20.423 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 -15.409 1.952 4.962 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 1.511 0.291 -3.982 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 6.763 -11.933 -9.066 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 3.938 14.163 21.870 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 -0.456 4.141 -2.543 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 14.283 20.241 5.157 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -18.121 -14.318 -18.475 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 -0.320 -3.477 -3.246 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 10.203 -4.882 -3.867 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 0.139 -4.449 -2.748 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 -5.116 -1.867 -1.829 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -19.189 -9.309 22.521 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 5.064 -22.177 -9.631 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 2.788 1.936 5.435 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 9.643 6.716 12.356 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 0.767 0.117 2.754 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 -1.672 3.113 4.128 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 6.141 -0.794 -3.843 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 -24.971 15.228 25.470 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 3.233 4.018 3.177 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -14.092 -29.495 3.658 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 4.239 7.960 -8.117 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 -0.738 -0.983 3.356 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 9.226 -2.599 -12.491 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 5.227 13.654 2.083 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 -0.657 -3.260 -4.676 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 -13.280 -7.448 -4.141 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 17.132 -13.321 1.579 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 2.545 3.635 -0.317 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 6.550 -0.402 -10.287 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 6.753 -0.286 -12.036 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 0.358 8.766 -5.349 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -25.943 -8.056 22.294 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 10.695 46.138 10.829 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 3.709 -1.764 1.579 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -0.131 -6.470 -3.854 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 6.069 -7.460 9.555 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 5.326 1.024 -0.705 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -1.150 -6.103 22.910 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 7.430 -24.475 0.567 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 5.664 -4.374 0.232 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -1.377 -6.203 23.322 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 14.041 11.941 4.831 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 -5.224 -0.313 -0.342 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 7.894 -0.232 -3.860 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -5.887 3.595 10.490 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 2.221 -3.380 3.710 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 2.010 -1.905 6.108 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -1.493 -5.131 -8.130 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 -2.629 -1.586 3.923 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 3.997 1.890 2.947 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 6.377 -21.783 9.377 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 2.129 -3.245 -6.048 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 36.812 0.570 19.962 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 28.371 7.462 14.035 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 6.745 -0.233 -2.967 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 4.935 -2.278 7.155 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 13.780 -4.999 -6.377 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 -4.462 -4.682 0.695 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 -5.338 -6.680 -2.616 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 -5.448 -15.762 -0.561 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 4.847 -4.066 -0.171 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 7.010 -28.656 7.164 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 3.590 26.949 -0.581 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 1.774 2.627 -2.709 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 9.623 -14.689 11.473 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 12.787 12.559 9.854 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 5.015 3.522 3.820 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 0.380 -7.685 -4.413 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 3.627 7.064 -4.163 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 4.024 -1.060 6.625 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 17.295 -8.839 6.761 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -11.185 -17.841 9.443 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -2.474 -0.737 -9.868 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 -16.748 -0.844 4.756 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -32.801 -5.003 -7.402 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 8.764 -2.841 -0.386 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 8.885 -5.809 -2.736 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 11.188 -3.061 0.142 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -0.060 0.624 -0.063 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 12.822 -0.995 -5.348 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 11.424 0.101 -6.151 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -1.445 -1.501 4.778 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 13.286 -6.624 1.155 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -21.175 18.105 16.987 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 1.566 -7.732 0.117 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -6.439 -7.905 -3.306 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 9.736 1.236 1.752 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 4.998 -4.190 8.648 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 4.505 -15.314 1.587 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 8.774 -4.356 6.043 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 4.211 -2.734 -1.505 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -5.821 -2.246 -0.312 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 -22.591 -9.071 -14.013 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 5.196 7.110 0.371 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 9.653 7.466 -15.440 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 12.071 14.788 -0.145 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -1.058 1.459 -3.561 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -22.688 -9.202 -6.883 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -3.400 14.549 12.877 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 4.557 4.872 2.717 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 18.259 -28.533 2.676 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 12.204 -26.970 11.641 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 0.388 1.896 -1.127 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 16.882 -5.014 15.760 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 -4.561 4.288 7.140 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -1.966 -3.455 -5.508 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -6.234 -1.331 -14.846 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -5.767 9.242 -0.439 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 2.348 1.888 2.452 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 11.247 -17.327 -13.022 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 -3.954 20.663 -13.620 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -1.691 -7.852 -5.426 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 3.783 -14.109 -0.391 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 0.847 4.779 1.724 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 -1.198 -0.835 -5.164 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -11.980 -21.464 -11.380 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 3.405 3.631 -3.358 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 -4.925 -0.170 2.069 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -2.450 7.913 -22.808 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 -3.582 -6.707 21.781 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 -1.840 -6.194 1.577 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -13.065 -7.252 15.498 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 14.170 -18.584 18.632 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 -0.205 -0.523 5.260 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -7.298 0.600 -20.990 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 1.179 -18.377 -2.921 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -1.934 -5.552 0.967 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 24.874 -6.096 11.746 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 -12.223 -5.584 -1.687 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 2.030 3.036 5.876 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -13.829 0.648 -4.309 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 3.490 -21.355 9.419 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 0.250 1.199 2.213 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 -6.868 -8.224 -5.085 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 6.072 31.423 17.897 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 -6.180 0.161 -5.212 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -22.622 11.462 -9.190 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 1.568 -7.267 -24.963 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 0.711 -2.437 -0.425 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -9.964 0.353 26.416 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -0.058 -8.243 -5.050 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 3.528 -1.010 -1.943 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 0.661 4.238 -12.619 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 6.961 -9.760 -4.336 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 1.780 -10.125 -3.933 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 8.434 0.001 -5.912 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 1.726 -13.890 -1.080 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 5.304 2.735 2.448 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -1.647 16.286 -10.212 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 -7.743 -1.747 -1.037 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 16.279 -3.993 3.379 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 13.699 -6.974 13.847 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 3.761 -18.115 -21.567 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 7.274 5.249 5.870 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 7.693 -0.089 12.908 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 1.238 10.584 4.914 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -0.594 8.072 -5.298 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 11.896 1.202 -12.576 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 27.121 -7.074 -8.070 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -1.162 -4.305 -1.369 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 9.333 -15.644 14.933 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 -11.202 16.669 3.009 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 5.246 -2.212 1.961 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 0.551 -9.156 -7.142 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 0.477 -0.529 -24.053 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 1.023 2.415 -2.255 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 6.917 18.434 -6.167 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 -8.681 0.217 -6.156 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -4.217 -4.624 -4.329 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 15.979 -7.903 8.766 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 -22.148 10.005 13.455 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 1.653 -5.454 -2.062 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 -20.083 -11.657 7.916 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -27.612 -8.534 15.523 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 3.237 -1.858 2.256 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 2.638 -2.296 1.446 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 3.932 -2.752 1.337 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 -4.562 -4.164 7.778 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 3.784 -3.462 0.234 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 8.437 0.102 -2.479 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 3.273 2.818 0.111 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 6.939 -15.333 12.798 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 -20.307 8.705 0.731 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -1.067 1.464 -0.030 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 4.427 10.275 1.454 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -4.764 2.583 1.139 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 2.760 0.536 5.104 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 4.821 -3.822 1.988 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 4.598 2.460 10.096 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 -8.880 2.023 -5.275 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 -2.709 2.627 -17.072 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 9.599 1.597 -16.332 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 -2.773 1.514 10.084 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 -23.221 -12.535 35.450 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 -3.295 5.497 -7.148 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -2.556 0.046 1.853 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 7.312 -9.467 10.821 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -10.454 5.541 -1.539 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 7.323 -2.457 -1.976 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 12.824 -1.185 11.305 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -12.350 -10.218 -11.909 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 -4.833 -3.407 4.243 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -5.353 -1.488 -17.792 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 12.371 9.217 9.785 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 -1.317 6.041 1.043 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -13.120 22.155 12.654 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 -0.253 -3.633 4.737 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 -2.037 4.568 4.477 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -15.229 10.301 11.841 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 37.580 -10.904 13.830 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -6.220 -12.274 -3.815 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 13.036 -7.864 -11.368 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 -7.185 6.887 -0.897 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 2.068 0.279 3.739 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 13.065 2.114 7.120 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -27.081 25.964 -2.634 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 -0.226 -4.095 9.362 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 0.697 -0.900 15.429 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 3.049 -11.915 0.235 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 -1.099 5.274 3.844 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -2.168 8.535 5.229 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 5.206 -0.625 6.068 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 -1.622 10.915 -3.701 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 18.342 -13.615 11.819 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -15.810 27.800 -15.229 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 -4.440 -0.520 7.317 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -0.928 -1.736 15.212 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -1.153 4.080 -15.723 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 -3.677 1.964 8.462 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 9.848 8.931 14.530 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 -1.310 -14.293 4.900 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 0.366 1.502 -0.552 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 -0.319 10.106 -0.979 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 -0.205 2.320 -9.007 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -5.291 -3.059 6.951 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 -3.183 -15.864 8.873 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -17.195 -12.459 19.513 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 -1.663 -4.675 0.891 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 9.624 -13.432 20.423 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 13.782 7.254 -2.427 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 5.400 -2.666 3.838 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 18.276 6.291 29.301 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -4.783 -12.167 29.189 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 4.053 0.618 -0.404 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 5.287 -3.760 0.770 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 28.318 -1.276 7.767 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 1.642 1.404 2.765 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -1.655 15.222 -6.725 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 21.843 -5.099 24.068 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 0.414 -4.210 -3.059 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -6.261 -3.990 -19.213 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 0.575 0.937 0.036 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -2.927 -5.968 -5.828 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 -8.730 -5.069 -0.316 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 -19.022 -2.358 9.491 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 3.862 -1.617 -8.074 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 -17.051 -0.105 -24.007 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 8.396 24.376 -2.483 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 0.615 1.595 5.286 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 7.845 26.041 -13.602 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 12.910 6.691 12.624 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 0.006 2.675 -2.638 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -14.191 -23.402 -3.301 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 15.130 -10.552 15.808 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 -2.416 1.952 4.798 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -12.557 -9.940 6.404 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 -2.428 13.867 10.173 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 0.261 -3.852 -1.962 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -10.221 -4.024 -5.381 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 -4.508 -3.963 -3.789 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 -1.610 10.307 -2.016 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 0.517 -4.961 6.949 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 7.478 -7.933 -5.325 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 1.918 -1.652 0.870 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 1.029 -16.002 1.716 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 6.584 -4.157 -19.252 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 -3.308 3.704 -3.379 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 14.213 10.835 -5.116 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -0.024 12.500 1.044 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 7.825 2.449 -1.556 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 -1.077 7.453 -1.023 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -2.261 -13.368 -6.779 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 -3.892 4.657 -2.472 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -5.527 0.529 -8.551 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 3.267 -17.132 4.932 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 5.314 0.739 -0.119 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 -29.902 -19.919 -8.226 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 10.335 -11.416 -16.886 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 2.600 -6.817 0.394 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 -7.057 7.698 -4.019 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 13.518 -5.761 2.729 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -1.562 -0.478 -7.793 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 2.618 8.278 16.345 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 8.356 -1.979 -1.950 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 0.626 2.535 -4.019 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 1.676 6.889 -28.809 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -3.687 2.928 -33.411 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 0.968 4.486 -1.594 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 -2.718 -2.884 8.949 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -18.315 -0.834 -18.995 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 4.883 -0.991 0.592 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 8.184 1.693 2.850 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 -5.491 10.369 -0.863 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -3.696 -2.426 7.116 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 12.989 1.877 4.658 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -1.568 11.852 11.990 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 0.957 -3.116 -4.829 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 22.327 -0.832 -9.183 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 17.676 14.551 -20.484 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -1.321 -0.775 1.755 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 5.144 -7.486 16.716 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 0.207 -0.366 6.035 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -1.316 -7.395 8.991 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 10.607 9.330 11.892 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -15.882 -6.544 -11.709 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 0.463 -0.459 -3.159 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 3.649 8.705 -17.853 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -2.659 -3.997 7.167 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 -7.208 -0.293 -3.812 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 7.990 12.911 -2.042 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 24.144 26.411 5.292 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 1.425 4.578 -0.848 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 3.833 5.387 -4.048 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 3.016 -2.565 2.693 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -3.392 -0.650 1.515 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 9.584 6.563 -18.325 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 0.589 -0.830 -8.114 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 -4.222 -3.989 -4.438 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -17.305 -17.679 0.323 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 -16.479 -8.418 -12.057 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 2.479 2.882 -3.591 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 -0.761 1.766 -9.317 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 0.968 -0.733 2.348 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 -2.414 -1.075 4.245 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 -8.300 13.268 10.511 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 3.730 0.620 -12.150 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 -4.249 1.768 -6.615 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -2.203 1.559 -18.038 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 -10.668 8.763 8.703 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 1.627 0.623 -2.594 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 12.263 6.383 23.152 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -20.042 -12.184 25.039 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 2.677 3.730 -0.384 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 9.645 13.399 -11.380 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 15.801 -18.734 8.159 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -6.217 -0.733 4.621 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -9.751 3.867 2.914 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -9.448 -2.685 10.499 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -8.716 3.807 8.538 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -3.201 0.547 12.897 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 5.363 -5.927 30.853 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 5.017 9.049 1.599 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -12.829 -20.697 11.832 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -13.457 30.459 4.269 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -0.566 -5.089 0.279 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 3.912 4.315 4.778 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 11.090 -15.191 -4.776 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -1.588 -0.767 0.991 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -1.387 -7.680 11.517 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 20.191 8.839 -24.076 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 -4.183 -2.332 1.553 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -7.059 5.656 5.303 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 1.309 4.018 -2.316 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 -4.224 -0.938 -2.118 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -16.128 -28.425 -3.916 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -37.797 3.809 -10.448 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -5.834 -4.490 -1.100 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 -9.870 10.635 7.729 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -3.008 -3.188 -12.762 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 -5.038 -2.386 -5.569 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 1.509 -6.897 -4.776 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 -10.128 1.487 -6.927 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 0.776 14.745 2.521 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -5.739 -6.818 -4.937 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 1.164 7.615 10.905 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -5.989 2.602 -0.208 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 -13.940 9.749 -10.816 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 -28.717 0.170 1.446 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 4.091 -3.452 4.479 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 5.564 1.729 -0.474 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 6.212 3.103 -2.169 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 9.654 -3.886 1.381 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 2.976 15.165 6.023 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 5.016 -7.798 -7.804 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -1.356 -5.399 1.379 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 -4.402 1.719 -3.438 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 -6.542 -9.991 0.593 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -2.883 -3.795 3.013 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -12.895 -28.221 4.181 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 -3.855 17.818 3.235 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 2.462 1.766 -3.483 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -3.309 2.558 -4.143 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 10.709 -29.357 -3.545 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 -1.814 -0.946 3.394 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 14.122 2.388 16.035 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 6.188 6.469 -24.354 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 2.782 3.149 0.264 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 8.757 6.337 5.230 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -28.649 -9.967 -6.520 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 2.311 -1.767 -7.539 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 9.080 -23.942 -17.395 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 2.932 11.190 5.429 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 -2.186 -4.709 0.371 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 8.977 -14.559 7.816 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 2.251 -15.056 -18.445 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -1.855 -5.289 -0.981 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 3.962 -9.680 12.037 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -4.097 -4.463 -8.975 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 3.236 0.768 -7.761 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 5.917 -5.704 -6.176 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 2.543 -2.169 -13.233 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -0.519 0.188 5.248 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 6.607 2.452 14.536 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 -10.325 2.316 -5.810 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 2.947 1.514 -3.178 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 5.025 -1.780 -2.898 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 1.500 -7.669 13.030 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 -2.744 0.132 -5.181 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 13.363 0.557 -10.470 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 5.169 14.797 5.729 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 -1.816 -1.508 1.033 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 -16.783 2.089 1.719 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -0.444 -3.444 0.266 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -0.293 8.743 -6.173 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 5.273 11.901 -9.983 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 -3.931 9.359 -4.587 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 1.309 -4.064 -6.962 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 6.436 0.895 -3.875 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 9.019 -15.097 -9.017 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 1.491 0.391 -9.436 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 4.189 -4.138 -5.685 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 -3.824 9.608 -17.775 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 1.295 -5.910 -1.246 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 21.421 -8.962 -13.709 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 7.293 -9.544 7.908 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 -2.955 2.535 2.341 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 6.084 -2.049 -6.967 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -12.265 -3.671 2.437 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 0.854 -1.879 0.300 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 4.033 4.899 7.690 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 10.188 -17.428 8.321 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -3.338 -5.121 -0.565 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 -15.601 -10.074 15.332 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 15.586 -18.196 -1.591 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 2.833 3.815 2.446 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 -18.300 6.922 -10.553 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -5.599 7.030 14.962 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 -5.634 -4.506 1.484 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -24.581 -7.134 3.654 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -0.905 4.834 -21.572 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -1.372 -5.931 -5.215 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 9.675 -8.272 -2.648 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -2.269 -10.011 -1.096 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 3.865 -7.828 -2.074 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 1.314 -7.090 -5.520 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 6.236 -2.366 -2.843 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 0.607 -3.489 -2.660 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 11.365 -1.368 -0.313 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 24.867 -0.466 4.682 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -2.445 0.100 1.727 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 -0.191 13.879 -14.838 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 0.403 31.679 -14.368 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 2.082 1.630 3.646 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 -4.276 13.576 -11.053 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 5.020 -5.130 12.212 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -4.766 6.143 -1.572 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 3.141 -3.625 -8.178 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -14.752 13.154 4.003 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 -5.439 -0.448 -7.842 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 -11.588 6.042 -16.211 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -8.452 0.086 0.898 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 2.569 -0.789 -4.506 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 -3.964 -29.771 0.913 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 -13.660 14.245 9.929 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 0.566 3.709 -2.663 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -3.908 0.459 -10.434 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 1.963 6.944 -6.164 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 -2.075 2.750 -6.486 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 4.893 1.313 0.867 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 5.552 2.412 -6.526 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 2.075 -1.702 5.466 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 -1.269 -36.648 -12.866 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 7.891 -8.192 -2.011 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 -7.230 4.750 1.214 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 5.156 -6.628 -19.021 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 2.298 11.888 -26.975 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 -2.865 -5.376 -1.198 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -1.761 -6.046 -0.631 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 -19.426 26.354 -6.838 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 1.898 1.323 0.234 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -8.986 1.014 -1.191 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 26.465 3.204 2.554 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 -2.406 -0.155 -9.737 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 -3.215 -12.050 -1.398 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -9.502 -17.108 10.224 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 -5.068 0.674 8.266 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 23.188 18.514 -33.438 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 9.302 11.340 -0.544 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 9.627 0.896 5.919 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 8.047 -7.367 -3.414 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 17.111 -6.498 -12.025 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 0.791 1.590 3.076 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 6.643 -0.177 -23.455 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 1.586 -3.275 -19.593 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 2.814 -4.395 1.639 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 10.062 11.010 30.393 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 27.601 -21.094 3.213 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -0.117 -1.429 -4.297 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 -10.410 -24.571 -2.806 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 10.263 -6.767 2.305 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 3.945 3.386 2.370 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -16.303 -0.413 -7.181 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 -10.830 0.343 -6.260 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 0.420 1.303 0.324 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 2.229 -3.134 0.429 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 5.768 -15.879 2.378 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 -3.833 1.860 5.963 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 -4.401 -4.967 11.392 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -4.014 5.456 -21.592 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -0.220 0.987 4.655 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 3.307 11.127 -20.852 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 9.948 8.339 -17.472 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -1.533 -2.628 -3.358 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 10.269 -0.138 9.357 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 13.075 -1.116 17.947 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 5.562 -3.558 -1.048 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -19.238 3.905 2.715 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 4.287 5.982 2.745 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 1.052 4.401 -7.466 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 5.226 10.919 4.981 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 -2.504 -9.436 -8.041 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 -0.365 -1.533 6.921 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 -3.365 -1.000 3.529 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 2.976 11.584 28.790 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 -3.566 3.177 1.588 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 0.099 7.485 -9.265 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 0.646 7.495 -7.305 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 2.456 5.515 -1.216 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -4.841 -8.311 -8.089 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 1.594 17.870 -13.515 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -7.645 3.296 -5.326 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 -18.636 4.180 -0.895 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 -0.021 2.590 1.289 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 0.117 -4.639 0.953 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 -11.004 17.718 -7.820 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -3.255 -8.607 6.741 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 -4.300 1.900 0.729 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -10.318 -14.822 -13.922 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 17.562 2.612 2.631 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 -8.980 -5.289 1.327 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -17.105 -12.546 0.238 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 1.402 -16.213 -7.198 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 0.847 0.296 -0.126 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 7.890 -16.158 7.252 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -15.796 2.888 7.594 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -7.887 1.877 -1.037 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 -12.429 5.049 6.603 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 2.079 5.367 -4.962 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 3.860 -8.568 -1.086 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 16.400 7.174 6.898 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 11.520 -4.230 16.224 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 -0.445 1.745 0.243 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 0.904 4.821 -0.946 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -1.018 -0.985 -3.458 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 -4.020 0.728 -11.512 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 25.399 20.411 -3.691 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 3.518 -7.122 1.671 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 0.898 3.666 4.775 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 -7.251 13.775 -4.249 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 6.363 -27.360 2.834 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 5.882 -2.554 -0.851 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 11.357 -10.729 15.432 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 -0.264 -19.298 -11.172 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 5.366 -7.651 0.057 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 11.362 9.997 13.339 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -9.981 -10.272 13.061 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -5.778 -0.254 -0.490 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 0.697 2.715 1.396 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -10.159 5.769 -2.652 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 4.235 2.230 -3.547 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -0.130 4.659 -6.103 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 -26.168 22.491 0.180 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -1.866 1.413 -3.489 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -16.052 -0.956 9.397 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 -9.346 0.115 0.256 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 2.305 -2.150 1.028 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 -4.094 -18.679 17.363 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 9.263 5.422 9.909 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 1.758 -2.484 -1.247 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 3.748 7.492 -4.290 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -1.534 -27.444 6.185 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 0.409 1.989 -2.503 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -6.098 17.272 15.667 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 1.389 -16.185 -22.729 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 -1.665 -4.779 -2.833 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -20.659 -1.672 -9.531 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -8.994 15.696 20.716 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 2.411 -2.129 1.873 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 -5.716 2.942 6.904 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 -13.783 -8.901 12.077 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -4.920 1.412 -0.777 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 22.121 13.204 -18.585 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -13.973 38.029 14.588 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 3.537 4.752 0.937 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 -2.964 -15.013 2.580 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 -9.449 3.401 -5.035 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -3.686 5.842 2.800 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 -1.566 -17.232 -2.016 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 3.898 10.783 19.278 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -1.959 5.966 -0.063 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -9.612 2.933 -2.944 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 8.997 8.441 5.888 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 -8.605 0.008 -2.794 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -9.763 2.470 0.517 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -3.864 -12.028 -15.802 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -5.595 -3.162 1.388 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 1.048 -10.925 18.398 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 -1.561 25.409 15.910 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 1.692 -6.917 -9.990 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 -12.767 -8.217 22.254 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 7.818 12.234 1.982 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 -1.663 0.265 -1.044 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -6.124 0.896 4.470 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 4.574 0.581 3.316 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 8.528 -2.482 -3.344 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 6.296 -6.304 -2.778 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 -0.008 -6.460 4.081 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 0.602 2.330 1.344 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 9.886 -1.855 24.208 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -3.916 1.712 0.628 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 3.587 3.982 0.488 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 0.982 15.085 -18.076 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -25.157 7.162 -2.708 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 1.147 -0.171 -0.728 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -5.935 12.332 19.788 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -1.929 11.609 19.986 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 2.584 1.615 -2.024 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -1.891 12.688 -0.657 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 1.115 14.706 0.702 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 1.408 0.894 6.126 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 26.370 9.863 -4.413 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 12.308 -6.046 8.133 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 1.215 2.424 2.946 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 -1.310 6.076 11.018 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -3.059 0.779 11.659 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -6.512 -8.531 1.000 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 -27.219 -22.477 23.333 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 10.101 13.420 19.303 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 6.780 2.151 -5.893 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 17.568 -19.913 -7.941 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 10.713 -2.052 -6.816 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 -0.423 -5.701 -3.146 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 1.587 -19.508 -27.586 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 19.860 13.223 -10.148 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 -1.959 0.587 8.256 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 10.347 -0.995 -6.273 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 24.095 -10.758 -29.377 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 -0.304 -3.790 5.572 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 0.716 -4.748 3.734 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 8.608 -7.468 -6.095 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 8.918 -0.794 0.124 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 -5.685 -14.232 0.338 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -3.973 -7.986 4.535 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -5.380 4.593 -5.447 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 8.947 -4.283 -2.768 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 5.566 -3.259 -16.884 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 -2.474 2.591 -2.702 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 3.915 -4.618 -13.386 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -6.573 -6.749 7.572 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 6.041 0.498 4.970 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 18.948 11.433 -2.502 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -0.641 -9.881 -0.054 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 2.075 -4.450 8.659 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 17.324 -9.290 4.416 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 -2.175 -10.625 -4.026 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 4.294 7.211 5.665 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 -10.765 -0.304 6.870 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 -35.354 -18.791 1.757 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 -1.134 -3.478 -0.128 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 16.204 18.701 -21.611 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 -21.619 19.148 19.930 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -0.644 -1.480 -1.522 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 4.484 -5.826 -5.813 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 -9.112 1.038 1.625 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 -2.120 4.393 -5.925 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -9.820 5.307 -0.237 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -0.629 13.083 -8.325 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 5.009 -2.974 -3.160 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 6.448 -0.762 1.430 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -25.157 1.978 23.275 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 2.855 0.270 -0.877 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 0.821 -4.902 -3.309 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -10.874 1.668 -0.182 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -3.100 -2.637 -2.026 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 3.131 -1.698 -3.072 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 8.681 1.532 -7.437 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 5.619 4.330 -0.607 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -26.011 13.506 5.431 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 4.751 -14.869 11.657 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 3.555 -4.563 3.585 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 12.375 -3.026 -0.015 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 5.312 -8.034 -10.262 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -3.572 2.884 7.009 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -1.484 11.091 -5.015 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 -11.921 3.133 11.438 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 -0.139 -0.504 -4.512 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 9.020 -17.433 -6.353 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -1.134 8.559 -5.949 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 2.271 1.006 2.658 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 -5.720 3.714 19.504 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 7.686 1.373 -8.405 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 11.157 0.463 0.626 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 2.293 -13.328 4.685 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 -3.342 13.029 25.019 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 2.007 0.484 4.011 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -10.156 14.543 -20.658 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 8.397 -6.418 16.921 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 1.253 -4.430 -2.388 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 0.208 -16.531 -13.127 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -8.789 -7.403 11.355 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 -0.961 -0.338 -7.193 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -9.722 0.271 -3.411 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 18.445 -0.137 21.835 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -2.505 2.029 7.842 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 -8.114 -6.904 0.106 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 5.124 1.832 16.509 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -1.570 2.739 0.376 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 15.739 15.346 5.643 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -1.200 3.343 0.746 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 2.740 4.322 -3.984 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 -25.476 -8.064 1.906 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 4.585 7.177 18.629 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 7.773 7.075 3.275 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -5.315 -2.417 -25.147 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -9.976 34.832 18.745 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -2.603 -0.724 -4.531 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 18.983 -11.132 -5.912 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 24.470 14.361 -0.905 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 2.257 -6.887 1.796 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 10.467 -11.837 -10.474 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 -1.214 -3.310 10.292 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -5.732 -3.275 4.379 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 -15.111 -3.508 7.887 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -7.922 6.229 3.308 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 5.607 1.010 -6.825 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 -17.694 9.287 -7.820 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 15.344 14.484 -13.796 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 4.850 4.301 -2.476 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 17.541 -12.642 27.967 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -26.562 4.134 17.259 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -5.294 -4.322 -0.862 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 9.634 -9.710 2.498 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 7.430 12.643 13.816 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 -10.335 3.552 -2.116 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 4.624 15.438 4.173 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 -5.768 -0.712 -15.046 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 -2.847 -7.846 0.808 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 14.251 -11.933 15.746 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 -7.608 7.981 -6.507 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 9.883 -0.885 5.309 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 7.685 -1.829 1.878 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 16.624 16.056 -5.002 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 4.115 2.085 -1.460 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -0.411 20.333 15.155 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 4.625 -13.461 2.276 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -1.576 -6.292 -0.383 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 -9.833 -2.511 -15.410 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 4.145 -11.292 -16.807 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -3.361 -1.349 -0.955 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 2.418 -10.832 -1.182 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -5.982 1.591 1.078 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 8.737 -0.418 1.482 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 -1.229 -16.384 8.140 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -8.086 4.219 -6.123 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -1.539 7.138 -0.582 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 4.786 5.317 -5.958 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -6.709 8.352 4.348 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 0.505 -1.216 -1.558 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 -13.134 13.988 4.819 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 8.826 -20.658 -6.723 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 2.114 4.130 -1.216 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 -0.202 -0.477 -6.216 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 -8.319 8.783 -8.449 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 2.514 -0.009 1.864 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 8.185 12.261 1.792 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 -13.059 -17.365 -0.775 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 7.101 -7.650 -4.774 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 18.396 3.002 0.427 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 4.074 -12.268 -5.282 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 0.031 -1.973 0.411 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -12.690 16.646 -26.774 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 -2.315 16.700 7.880 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 0.949 0.482 0.474 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 -6.724 8.497 3.060 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 13.241 -16.437 -6.022 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -1.782 5.122 -2.931 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 12.879 -2.280 -10.318 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 6.784 20.995 14.254 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 -5.432 -2.950 -3.700 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -13.680 -11.231 -10.891 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 14.590 -3.535 -5.887 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 -2.108 -3.998 5.570 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -13.038 3.283 0.498 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 -0.498 -4.080 5.535 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -4.431 -1.917 7.423 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 13.504 13.768 15.053 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -15.724 -9.341 25.135 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 -0.949 0.216 3.809 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -5.996 8.558 13.789 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 0.915 -6.936 -0.588 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -2.565 -0.978 -1.859 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -24.145 10.093 0.998 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 22.011 1.889 -1.313 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 2.166 1.081 -2.338 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -11.063 3.714 0.161 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 6.841 -1.618 -1.129 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 -5.272 7.259 -8.487 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 17.727 4.950 3.333 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 1.351 3.103 -6.745 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -2.760 -6.607 3.403 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -5.423 -12.904 14.944 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -25.747 0.146 -6.561 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 2.505 2.518 1.057 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 1.373 14.439 9.400 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 2.867 26.274 -12.581 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 -1.978 -1.985 2.067 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -2.445 -7.310 2.422 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 2.658 -11.088 -1.026 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -5.400 -4.436 4.320 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 -19.021 12.516 -8.354 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 -7.828 -5.694 1.753 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 -1.497 5.200 -6.002 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -9.238 -3.506 -22.437 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 6.308 15.051 -20.195 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 -2.784 6.987 0.554 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 -4.005 7.000 1.595 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 12.818 9.905 0.903 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -3.163 -5.087 4.045 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 -6.437 -5.361 -7.446 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -4.556 -6.154 2.484 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 8.943 -1.045 -0.048 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 3.971 -18.729 -5.972 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 8.783 7.379 -15.047 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 9.815 -4.446 -5.068 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -1.160 -9.105 5.957 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 21.601 -15.191 -4.826 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 4.254 -7.953 3.487 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 1.695 -21.818 -18.242 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 7.150 19.409 -16.533 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 5.451 0.401 1.629 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 21.888 -6.045 -8.570 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -11.757 -8.369 4.550 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -0.811 5.529 -1.439 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -4.216 7.596 -5.121 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 8.740 -2.297 -3.770 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 1.354 3.612 -0.058 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -5.494 -10.051 -13.096 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -2.278 6.128 2.954 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 0.401 -4.062 2.367 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 -10.667 -3.130 0.001 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -7.154 2.874 4.648 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 0.739 2.237 -3.702 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 3.156 -1.505 19.711 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 0.792 1.692 0.179 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -4.066 -1.615 5.285 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 0.684 -0.981 12.363 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 3.653 -1.822 -1.289 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -3.535 2.249 3.087 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -0.078 -15.740 9.857 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 14.360 4.207 9.498 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 3.604 4.274 1.212 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 5.737 10.693 18.204 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 10.448 27.763 -4.041 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 1.388 3.831 6.068 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 4.135 5.679 -4.439 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -10.592 9.292 13.659 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 1.002 -1.025 4.222 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -6.699 20.365 41.414 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -6.802 24.530 19.373 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 2.115 0.940 4.837 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 5.833 -0.956 -12.870 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 9.487 -3.648 -13.863 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 0.060 5.577 -1.594 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 -2.387 -2.925 -1.618 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -5.765 8.735 -1.710 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 -9.271 4.536 5.704 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 -9.037 7.467 2.174 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 -13.017 -12.973 27.391 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -0.074 5.706 5.059 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -18.023 -14.523 -0.679 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 1.072 6.720 4.877 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 2.122 1.117 -8.855 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -23.529 1.830 -9.724 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 -13.248 -29.617 10.689 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 -6.348 -0.408 -2.395 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 -8.511 9.394 5.588 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 -6.130 6.704 -17.592 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 0.035 -1.510 7.406 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 8.430 -4.729 4.227 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 -5.231 -0.968 8.910 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -7.052 1.635 4.558 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 12.298 -3.588 -1.173 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -18.030 1.128 34.003 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 -3.065 -3.284 -1.058 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -3.429 -8.344 6.391 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 10.383 25.714 9.846 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 7.841 -1.869 -3.939 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 3.253 -34.626 -8.720 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 26.888 2.964 -12.388 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 3.168 -0.695 7.551 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 -6.713 -13.549 0.235 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 2.425 -14.341 7.878 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 0.996 8.874 -0.438 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -10.872 -7.500 0.441 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 19.011 1.485 -1.203 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 4.785 -0.850 -1.789 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 -15.453 14.001 16.595 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 0.884 7.462 -25.020 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 -2.134 -4.337 -10.518 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -6.372 -7.762 -9.224 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 6.029 6.129 -11.802 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 6.997 4.782 -3.005 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -17.055 -18.336 6.486 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 -3.486 -5.479 0.753 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 5.453 -2.454 0.345 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -20.694 1.670 31.119 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 1.968 3.751 7.091 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -5.629 -1.861 -3.579 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 10.316 14.675 1.805 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 27.624 3.793 0.930 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 -3.212 -6.712 2.661 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 -5.442 -5.910 29.550 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 7.115 -1.789 -16.048 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -0.781 0.337 -1.077 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -4.407 11.604 18.158 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -15.207 -16.989 3.528 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 -7.621 -4.433 1.996 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 -27.592 -16.636 17.342 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 -0.616 -10.350 2.033 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 4.560 5.915 3.703 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 17.605 2.758 -0.435 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 6.237 19.887 -1.225 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -1.046 -3.535 -3.366 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 10.446 -18.818 3.143 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 -3.287 16.008 -2.865 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -2.232 -1.860 0.023 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -4.247 -9.786 -1.482 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -5.704 -11.425 -4.232 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 -4.922 -2.539 -1.521 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 -3.271 -4.331 1.164 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 -6.909 2.976 1.700 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 -3.606 2.074 -9.980 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -2.629 4.560 -0.253 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -3.646 0.073 2.154 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -5.240 4.289 -1.293 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -9.734 0.515 -3.573 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -17.882 5.915 -4.760 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 6.827 -1.271 6.691 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -13.618 -17.023 6.483 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 16.556 5.250 6.930 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 -4.007 4.181 -2.224 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 5.457 -9.211 -7.735 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 -12.385 15.110 2.270 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 2.582 -1.889 0.804 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 16.908 5.260 9.709 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 5.763 7.109 -11.236 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -2.641 1.017 1.441 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 17.078 17.139 1.340 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -11.822 -3.548 -5.589 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -1.310 -5.815 -2.819 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -5.126 -1.413 -2.358 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -4.124 -5.133 -1.872 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -0.262 -8.882 0.700 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 28.368 -0.008 2.542 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 14.910 -3.803 3.296 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 -3.246 4.424 0.658 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -11.000 8.363 -7.744 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 -1.992 -19.052 0.295 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 -6.586 -2.435 6.823 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 1.594 9.529 22.548 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -11.917 -10.770 -2.542 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 2.669 5.755 -7.509 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 16.543 4.161 -3.941 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 -5.416 -14.197 -5.489 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 -1.291 5.037 0.459 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 -47.351 8.571 25.002 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 5.162 -1.885 2.586 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 1.738 -2.511 0.056 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 6.304 -19.426 -7.875 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 -12.419 12.925 -9.839 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -1.348 4.103 0.082 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 6.405 3.064 8.634 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 -22.347 -11.301 -1.656 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -9.369 -2.652 -0.807 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -3.734 -4.696 -7.884 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 -4.258 -4.290 -7.306 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 5.858 0.113 2.809 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 0.868 -7.882 7.683 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 10.982 -0.973 8.063 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -1.595 -3.598 -4.486 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 -5.240 -10.179 -16.519 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 -8.849 5.386 -15.420 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 1.305 -6.103 5.543 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 1.521 -5.130 -11.981 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 4.327 -22.131 -10.180 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -2.353 -2.412 -2.853 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 5.032 -23.403 18.062 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -11.740 -5.308 0.305 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 -5.973 3.607 -2.147 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 15.479 -9.419 5.434 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 24.477 -10.597 13.801 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 9.073 2.776 4.001 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 6.465 11.392 8.994 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 3.603 24.731 12.883 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 2.123 4.844 6.812 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 4.624 12.796 10.703 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 6.854 -3.181 -0.913 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 6.650 1.013 -1.415 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 -4.203 -0.664 -15.537 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 13.199 -10.294 1.050 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 -4.963 1.391 -1.924 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -2.719 0.642 -6.465 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -6.821 -2.771 -8.004 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 0.729 2.594 -1.731 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 7.694 2.008 8.475 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 8.143 -11.763 -8.844 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 3.429 -1.099 3.281 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -0.737 -2.780 8.656 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 22.085 16.343 -9.406 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 2.201 -0.497 -2.719 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 30.357 -9.550 -3.103 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 -54.294 13.023 -0.656 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 3.987 -4.495 0.212 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 16.456 -8.551 -4.277 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -6.071 9.964 -2.685 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 4.659 -3.124 3.352 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 9.896 -0.846 7.268 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 1.044 5.081 -4.901 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 7.737 0.720 4.657 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -14.961 23.172 -17.621 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 24.045 8.750 -26.357 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 -4.414 5.694 2.051 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 -18.756 -16.853 5.447 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 8.034 -5.782 12.003 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 2.607 1.181 4.266 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 6.718 -6.403 5.426 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 0.019 7.809 1.646 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 9.521 -9.464 4.930 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 1.317 13.807 10.449 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -16.663 18.528 -8.135 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 -5.879 -0.624 -1.127 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -18.151 8.476 6.226 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 7.986 -19.362 8.705 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 0.308 6.455 3.893 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 5.644 9.511 9.479 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 -5.300 1.559 4.166 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 7.836 4.502 -5.116 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -0.802 -0.397 -2.323 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 6.247 9.283 -14.792 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -2.060 -7.985 2.080 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 7.179 1.068 6.719 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 3.861 0.821 1.015 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 8.229 -2.222 4.915 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 7.521 -14.729 -4.014 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 13.521 20.376 14.319 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -1.026 -3.205 -0.805 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -1.783 -16.152 4.022 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 -7.925 -3.278 -11.361 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 -0.037 -1.744 2.485 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -4.560 -1.133 24.892 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -11.330 0.962 -16.476 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 6.282 -5.939 -3.277 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 -0.316 -4.097 -7.891 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 11.480 -7.598 34.224 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -0.316 3.892 -9.237 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 9.399 -1.247 -27.471 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 -3.761 3.082 11.461 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 -4.927 10.276 5.681 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -31.446 0.649 -25.888 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 -8.317 21.167 6.425 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -1.891 -4.243 -2.666 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 38.540 -16.620 14.829 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -11.884 -3.596 -16.743 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 3.325 -1.319 0.110 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 8.223 -9.487 4.111 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 -20.598 8.210 -7.157 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -2.220 -0.963 -3.318 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 2.699 40.381 -2.362 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -2.489 -7.879 -15.858 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 7.735 2.486 2.255 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 1.226 19.844 1.594 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 9.989 15.361 -3.109 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 -7.089 -2.052 0.099 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 -9.391 -0.818 11.408 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 12.923 -21.111 -8.160 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 2.475 -2.572 -8.387 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 10.454 3.833 -21.899 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 19.078 -2.586 24.899 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 3.003 3.453 3.034 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -1.751 -8.353 14.907 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 7.606 5.662 -6.458 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 0.086 1.732 -8.355 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -11.795 -1.042 2.537 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 -12.086 -5.224 -8.381 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -2.955 4.077 -0.398 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 17.166 -9.938 7.103 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 0.303 -3.304 -1.726 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 1.271 4.038 4.766 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 -2.803 11.327 11.218 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -9.247 0.836 12.741 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 0.029 1.041 4.443 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 1.125 2.616 -4.530 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 2.571 4.034 -13.420 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -5.095 0.814 -1.934 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 10.387 -10.276 -32.057 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 -33.177 33.237 20.699 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -4.127 1.114 1.777 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 -2.426 -3.285 6.186 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 -0.735 0.878 -7.300 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 0.573 9.447 0.870 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -9.200 2.856 10.920 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -1.514 0.947 1.545 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -6.685 -1.414 -1.565 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -6.379 -14.960 4.170 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -7.030 -19.773 8.335 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 -1.972 -3.136 -5.136 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -18.601 -19.304 35.162 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 2.046 -0.975 12.323 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 0.052 -4.872 5.411 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -24.564 5.819 20.482 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -8.213 19.081 10.137 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -1.502 -5.265 -1.031 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 8.738 7.161 -27.357 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 -2.425 -8.902 -7.288 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -2.274 -2.921 7.598 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 16.035 -15.194 9.403 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 10.448 5.282 15.850 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 10.185 0.525 -2.899 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 4.549 -3.281 -6.464 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 0.442 5.131 -13.715 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 -0.029 2.992 0.974 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 -0.383 3.712 1.220 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 6.884 -1.669 21.671 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 6.876 -0.172 3.592 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 -11.023 -10.337 -9.255 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 16.371 0.307 3.388 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 1.110 7.010 0.229 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 -16.572 9.667 -1.515 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 18.336 4.692 1.480 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 -5.280 8.035 -0.460 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 0.731 -0.524 -31.790 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 -3.443 14.791 1.224 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -2.812 -2.485 -0.876 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 6.787 -1.851 -13.164 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 7.336 -20.560 -5.362 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 2.775 -4.746 3.847 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 21.884 -12.206 9.456 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -37.240 6.575 -14.699 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -0.899 -0.210 -7.291 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 -3.566 -1.525 23.416 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -1.199 7.201 3.803 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 -4.049 4.849 0.990 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -17.663 0.912 5.809 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 0.519 18.015 -0.595 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 9.948 4.578 0.138 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 5.906 -3.109 -2.303 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 7.644 12.985 -2.549 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 -4.521 -1.518 -1.344 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 18.713 -16.613 -17.343 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 20.953 -10.285 -9.753 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 -2.845 -3.677 3.275 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -16.894 28.497 7.709 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 -14.279 -3.996 -32.877 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 4.284 0.128 7.068 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 -14.953 -37.352 5.231 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -12.548 -11.006 13.889 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -3.501 -3.332 1.011 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 -28.233 19.316 9.544 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 9.784 2.771 0.163 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 1.221 -5.650 -2.399 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 7.168 29.422 -6.316 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 5.243 16.698 -4.815 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -0.753 1.352 1.130 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 11.720 5.543 3.424 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 4.563 6.423 -7.074 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 0.463 2.636 -2.975 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 0.428 2.764 -2.572 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -0.205 2.706 -1.662 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 -7.625 6.028 0.611 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 -10.428 12.544 4.178 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 -4.998 31.403 0.896 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 4.921 2.241 -0.771 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 18.074 -5.865 22.554 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 6.293 -41.045 6.064 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 6.158 1.981 1.763 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 0.883 -7.050 -4.997 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 4.110 12.313 -2.781 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 1.472 3.427 0.265 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 13.377 13.481 -8.527 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 11.502 -2.899 13.659 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 -4.242 0.759 -2.437 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 -12.255 1.724 1.680 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 -1.381 -4.994 11.244 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 13.269 -3.290 3.786 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -0.750 9.009 8.967 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 9.664 -8.456 -13.305 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -2.937 -2.052 -0.943 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 7.572 -5.951 -9.152 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -1.983 -1.424 -1.792 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 9.802 -3.335 4.155 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 9.155 -6.216 12.256 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 21.780 8.295 -5.735 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 2.433 1.247 -6.317 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 -15.424 20.325 16.441 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -1.719 -10.839 -25.406 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 3.916 6.492 0.264 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 13.867 -7.219 3.941 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -14.144 8.412 -2.084 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 1.288 -3.564 0.921 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -15.820 -7.811 8.684 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -0.975 4.811 -19.152 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 5.567 -1.483 -3.267 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -22.537 19.015 28.723 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 1.764 29.255 -20.610 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 0.172 -6.537 -5.839 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 0.516 -8.962 -7.476 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 0.248 -1.260 0.582 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 6.885 -2.004 2.488 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 -21.970 3.885 -10.954 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 29.809 12.235 10.485 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 -3.571 0.351 5.406 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 -8.621 -1.574 5.405 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 2.387 5.435 11.076 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -3.554 -3.462 -3.077 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 14.643 -19.166 -9.331 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 -2.481 9.373 3.364 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 -3.899 -1.008 2.513 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 -3.030 -6.538 3.659 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 -6.401 32.611 -30.788 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 2.477 0.755 -5.692 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 13.164 -11.185 7.646 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 4.915 7.578 -17.846 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -9.133 4.413 5.155 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -10.722 7.412 9.101 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 10.148 3.502 -10.263 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -2.505 -3.728 2.183 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 -1.692 -11.568 -20.481 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 14.384 10.404 16.360 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 2.389 -4.948 -7.676 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -6.701 -6.802 -10.908 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 2.133 3.293 -4.511 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 2.606 -1.239 5.085 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 3.512 -3.668 0.538 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 3.950 3.457 4.338 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 -4.762 5.228 -2.298 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 -6.361 5.230 19.802 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 -7.296 5.877 -6.808 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 1.345 -3.298 -0.545 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 9.394 8.274 -12.017 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 5.633 -4.409 -2.272 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -3.261 -3.683 -0.487 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 5.531 11.059 -1.718 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 4.078 25.191 -6.727 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -6.287 3.805 -7.005 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 -3.065 22.763 2.256 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 2.259 -13.941 -12.523 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -3.748 -4.525 -1.729 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -8.589 -9.798 14.989 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 9.534 3.878 13.383 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -0.036 2.439 0.476 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 -10.359 2.534 6.284 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -20.714 7.483 27.595 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 3.047 5.724 0.479 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 0.845 21.800 -2.451 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 8.008 1.557 8.138 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 10.069 0.750 -0.156 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 5.113 6.679 -14.777 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 -17.390 9.629 1.084 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -2.414 -3.993 6.388 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 8.462 -14.719 -10.528 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -9.433 -6.888 14.505 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 5.288 -2.181 7.150 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -6.272 1.330 1.373 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 12.514 -8.206 -0.251 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 2.747 1.430 0.909 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 22.117 14.885 -0.384 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -0.169 2.555 7.830 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 2.540 1.468 3.712 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 -9.196 -3.089 -12.188 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -9.159 13.625 -3.967 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 4.313 2.659 -1.216 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 -5.401 -5.903 -4.571 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 9.080 -8.698 4.132 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 0.848 -1.123 3.104 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 3.770 17.513 -14.557 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 -0.818 -3.447 30.264 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 -2.379 0.969 -0.055 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 19.530 2.762 3.118 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -2.191 6.111 -3.716 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 1.208 10.058 5.645 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 10.267 12.415 -0.316 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 -2.054 6.543 4.884 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 3.170 7.714 1.635 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 -0.080 15.964 30.283 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 2.278 -6.549 -11.841 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 0.007 -1.806 5.093 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 15.524 -5.510 -5.280 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -0.278 5.417 -5.561 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 3.481 -4.852 0.993 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -2.447 -15.515 26.108 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 0.207 -25.891 12.695 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 3.168 0.967 -4.415 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 -15.993 -2.366 9.333 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 21.047 4.923 -15.915 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -2.132 -2.006 1.319 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 0.751 -2.004 -21.435 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -14.177 -1.318 -9.562 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 -0.745 0.555 1.358 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -18.868 -16.849 -14.678 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 2.593 -8.470 -17.447 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -1.214 -5.192 -0.279 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -26.987 22.776 -5.890 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -12.813 -34.316 -21.631 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -5.948 -0.661 6.869 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 5.382 12.876 -2.325 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -1.550 -1.068 -5.353 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 -2.175 0.025 -3.294 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 4.270 13.315 -18.136 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 9.754 -3.840 10.837 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -6.625 -1.988 -4.992 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 -5.458 -6.851 4.979 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 -12.474 19.200 -49.423 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 -4.271 -5.280 4.811 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -13.174 -25.914 -0.079 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 -0.169 -19.230 -13.581 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 -4.814 -2.455 -2.726 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -13.448 2.199 -5.163 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 -7.836 -1.395 -3.629 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 -5.196 2.721 -1.672 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 7.508 -3.193 -7.313 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -4.632 7.384 13.152 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 -0.803 -1.289 5.388 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -12.617 -5.901 5.455 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 -4.206 -18.778 8.360 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 -0.479 -5.104 -1.603 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -10.029 -1.019 -8.034 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 10.714 -7.493 -3.930 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -5.520 -7.964 0.643 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 1.093 6.284 6.049 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 15.764 -28.803 -5.734 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 -6.905 -7.042 4.812 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 14.224 -6.134 7.104 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -12.338 -2.839 -9.901 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 2.131 -5.358 2.288 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 21.245 7.939 -13.397 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -21.851 3.292 -4.840 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -2.557 2.217 5.204 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 13.495 11.996 19.909 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 -6.311 12.579 5.376 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 5.114 -3.942 -2.403 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 9.244 1.918 14.396 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 -23.996 -30.530 10.297 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 2.151 4.775 5.804 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 -2.799 4.221 -19.663 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -3.291 -11.099 19.887 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -4.176 -2.638 4.656 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 15.895 11.916 -0.148 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -25.266 14.051 -5.321 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 4.441 -1.304 -1.728 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 5.827 -21.611 11.378 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 4.702 -6.067 -5.881 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 -1.660 -4.748 -0.802 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 -19.037 -21.185 -3.371 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -2.967 -11.057 15.656 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -6.088 3.754 -2.709 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 10.923 -1.707 8.076 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 -2.565 9.622 2.960 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -0.926 1.844 0.988 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 2.307 8.162 -2.965 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 -11.974 -14.768 10.325 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 3.596 6.040 -1.254 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 12.587 -10.478 -8.458 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 4.028 21.677 7.903 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -2.978 -1.957 -1.268 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -4.682 12.443 3.933 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 4.091 15.047 2.890 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -8.768 5.372 4.252 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 11.268 29.057 -38.499 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 6.569 3.015 18.854 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 4.251 2.849 -3.626 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 6.933 -11.396 -16.766 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 7.114 -10.264 -10.323 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 7.340 4.068 -4.374 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 7.749 2.901 0.507 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 19.699 -8.026 -13.859 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 1.147 3.224 3.889 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 5.587 5.772 1.718 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 -0.953 5.270 5.178 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 1.285 4.191 0.356 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 7.809 -11.933 -7.264 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 0.820 0.637 -22.108 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -1.765 -2.646 -1.614 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 2.391 6.902 -46.835 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 17.793 18.578 25.063 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 -9.431 2.029 3.159 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 -2.457 2.825 -3.253 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -6.295 2.989 1.920 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -9.002 1.538 -1.780 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -5.340 -5.741 -4.273 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 22.080 -16.234 -1.901 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 -3.698 2.873 4.252 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -18.214 -12.008 8.202 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 8.332 -28.678 1.422 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 -0.133 0.848 -2.655 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 1.284 5.709 2.470 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 -2.276 -5.069 -7.616 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 0.483 0.086 0.041 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 1.052 -3.792 10.278 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 6.982 -5.124 2.183 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 2.749 -0.782 5.121 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 9.012 2.842 15.175 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 -4.719 6.174 4.635 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -1.577 -4.614 -5.018 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 11.498 -7.105 -1.192 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 -3.987 -14.586 3.615 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 -8.101 -10.830 1.334 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 1.140 41.283 0.188 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 -6.396 -3.953 -23.547 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 -3.857 2.450 -3.174 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 -9.595 -11.840 13.226 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 11.649 -10.896 -14.665 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 3.683 -6.117 2.680 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 6.002 -4.296 5.776 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 0.283 19.037 -10.994 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 -4.722 0.258 -0.598 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -5.269 0.069 -0.942 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -1.028 -1.318 -1.058 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 3.055 -2.258 -2.126 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 16.647 7.256 20.578 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 -5.288 -4.741 -2.718 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -2.330 -2.105 2.594 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 1.948 -3.006 -5.849 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 4.839 1.832 6.717 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 2.253 4.385 -6.937 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 -5.256 -10.481 -16.776 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -6.435 -17.330 24.928 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 6.475 -3.211 -2.524 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 -2.059 -9.205 8.077 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 3.074 -5.781 3.804 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 7.013 -4.834 4.941 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -4.699 25.299 18.231 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 4.098 1.218 7.032 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 10.990 6.238 8.258 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 9.998 5.835 13.811 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 12.983 8.157 -11.093 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 -1.864 -1.762 -0.605 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -15.514 -3.720 11.666 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 -2.765 21.605 -1.638 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -1.038 9.526 0.556 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 12.161 8.668 -2.544 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 -3.512 -2.330 -0.299 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -3.218 -0.510 1.838 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -0.438 2.610 2.007 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 9.996 5.384 -1.834 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 0.790 5.652 -10.255 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -20.487 4.083 -13.300 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 6.026 -8.726 -1.653 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 -6.065 1.382 -5.676 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 -4.582 8.745 -12.223 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 1.152 -3.099 -8.097 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -3.076 0.550 -7.279 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 -1.364 12.770 3.948 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 3.828 -0.508 -7.034 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 -2.663 0.550 0.285 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 -1.320 -2.989 1.405 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -2.094 0.511 -0.721 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 -3.042 2.013 7.108 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 2.837 4.424 -7.157 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 14.304 4.325 15.211 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 -0.215 -3.335 2.151 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 -19.680 -4.448 9.469 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 -1.068 -8.895 -1.501 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 5.057 8.137 -0.160 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 -0.174 17.747 5.296 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 6.277 -11.827 0.209 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 -4.211 -1.795 3.635 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 -16.633 -9.092 -4.152 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 21.537 7.009 -4.754 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -2.795 -1.531 1.477 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -4.302 -1.947 4.572 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -3.356 -5.152 -9.688 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -1.799 -1.398 3.838 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -20.038 6.578 -34.724 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -4.765 -11.986 0.828 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 1.914 -0.968 -1.397 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 7.184 -2.633 2.925 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 11.288 2.779 -7.154 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -3.734 -1.917 1.732 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -3.261 -9.378 3.016 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 1.754 1.981 1.683 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 2.404 4.096 7.388 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 4.957 13.152 5.098 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -16.893 -1.833 9.943 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 4.025 -0.265 -2.555 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 2.540 4.895 -0.219 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 0.002 -3.673 0.075 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 1.938 -0.913 1.478 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -1.576 -6.183 -4.126 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 1.241 -0.641 -14.293 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 1.563 -2.817 -0.867 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -6.371 16.728 -1.707 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 4.759 -9.632 3.493 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 6.424 -3.792 3.620 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 1.540 -2.207 3.145 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -6.788 -0.092 6.009 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 -0.855 -2.816 7.393 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 6.907 -9.989 40.113 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 -1.417 -3.388 -16.097 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 7.328 -2.293 -1.604 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 -8.952 -8.589 13.918 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 15.168 -9.524 3.781 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 -1.914 -5.446 -1.597 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 -8.532 0.385 -10.600 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 -0.864 0.045 -1.585 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 -4.570 5.350 -2.624 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 3.520 13.337 -11.596 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 -18.736 -1.086 -5.257 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -7.173 0.640 5.695 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 -2.376 -11.020 10.279 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -8.456 10.646 15.573 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -7.726 0.559 1.957 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 -15.594 -8.035 0.428 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 -7.862 -1.088 -2.534 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 -4.773 -5.463 5.193 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 22.373 -6.218 25.576 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -11.479 -13.271 17.515 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 0.132 -1.009 9.009 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 5.028 -6.506 9.146 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -3.738 -3.348 14.940 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -1.058 -3.365 -1.326 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -3.850 -22.728 -11.884 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 2.182 8.954 1.328 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 1.143 -4.942 -7.377 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 7.075 -15.788 -5.343 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 11.271 -3.754 -26.681 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 0.473 3.511 -4.878 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 10.299 -12.774 15.717 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 18.221 4.426 21.789 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 -3.213 -0.924 1.943 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 1.997 30.392 -11.598 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 9.488 12.389 11.776 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -0.710 -2.311 3.638 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 -2.622 8.994 30.892 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 10.364 -18.447 -15.335 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 7.409 1.344 -2.673 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -2.391 -8.755 2.459 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 -9.097 2.314 -1.298 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -0.494 2.929 3.223 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 -10.788 -3.563 -15.826 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -0.055 11.927 -13.828 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 -1.684 -3.773 -3.130 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 0.551 -6.540 15.238 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 6.336 -24.853 -16.580 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 1.983 7.112 2.673 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -8.904 -11.775 -19.963 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 33.599 3.220 0.418 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 -1.648 -0.433 -0.260 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 13.857 7.089 -21.682 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -21.139 7.188 17.714 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 -1.034 6.356 1.942 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 16.267 11.846 -3.568 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -32.426 -6.412 29.847 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -4.529 -5.786 0.918 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 13.350 -1.296 7.262 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 -0.196 -4.874 2.199 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 -1.984 -7.856 2.471 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 7.123 5.890 -13.831 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -1.163 -9.938 2.846 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 10.155 0.624 -1.129 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 -9.804 -2.968 -4.645 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 0.685 -0.633 -2.879 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 1.150 1.126 2.552 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -13.251 -4.403 -9.804 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 13.145 -8.026 4.767 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 -3.364 1.433 6.144 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 -1.689 5.469 -5.305 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 3.568 -24.430 1.290 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 0.491 2.688 6.790 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -0.980 -4.069 12.529 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -5.754 -2.676 -3.502 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 1.556 0.086 6.740 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 1.647 5.095 4.864 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 4.110 -0.344 4.464 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 4.459 2.324 -0.260 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 20.651 4.474 8.838 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 20.645 2.507 0.343 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 7.042 -1.180 5.521 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 1.327 13.392 14.010 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -4.758 -10.725 5.702 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -2.630 0.194 -2.331 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -6.515 2.934 0.331 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -3.049 0.890 -2.068 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 -6.310 3.718 -1.594 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 -13.146 6.668 8.133 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -14.336 4.384 8.594 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -5.207 0.405 6.342 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 1.837 0.952 11.618 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 30.868 18.870 27.156 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 3.963 -2.764 2.285 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -2.542 -8.901 -1.451 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 9.380 8.611 15.273 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 3.729 -4.602 -4.005 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -8.709 -0.496 -6.049 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 4.794 -15.120 -4.214 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -2.706 -3.607 -5.036 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 16.422 20.517 12.527 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 -2.006 -8.487 -9.545 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 -0.325 -5.175 -4.251 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 -8.503 -3.658 12.539 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 19.696 -1.659 -0.409 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 6.814 -3.936 -0.040 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 20.680 -21.324 -5.249 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -2.679 10.775 1.245 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 5.008 -2.676 -4.597 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -14.607 -11.731 11.312 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -12.144 -3.593 -19.482 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 0.348 -5.440 0.854 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 0.476 -4.028 9.143 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 2.974 -1.257 -16.381 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 2.183 5.267 0.234 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -15.395 -0.356 5.550 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 0.473 12.761 30.184 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 0.915 9.515 2.360 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 20.329 17.130 -6.150 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 -9.766 -15.950 -21.744 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 0.371 1.475 -8.456 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 8.607 -8.443 -9.152 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 0.015 -32.102 -9.590 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 -3.323 -3.661 -0.865 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 22.276 16.011 10.678 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -4.166 1.059 -1.814 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 2.365 4.226 -1.807 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 2.596 9.486 4.947 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 0.446 -3.213 -15.057 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -0.536 -5.253 0.470 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -4.485 5.666 -6.041 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 22.787 21.709 -7.643 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 -0.501 -1.306 2.510 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 23.503 -11.377 -1.569 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 10.156 2.872 18.546 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 2.913 1.219 -1.060 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 1.964 -1.125 -6.951 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 16.982 -9.385 12.893 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 4.434 3.379 -1.066 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 3.834 17.506 -9.388 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 8.874 24.193 -16.465 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -1.576 -1.006 -0.131 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -0.580 -17.350 2.649 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 -3.950 1.756 -1.315 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 -6.223 0.387 -0.399 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 13.616 -16.701 2.831 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 -7.701 9.677 1.358 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 -4.163 5.044 -1.575 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 -3.377 0.397 -1.070 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -2.169 -9.598 -11.179 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 5.236 -2.617 4.794 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 28.284 -20.065 -0.740 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 21.460 -14.625 -0.621 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -8.406 0.980 3.009 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 -8.380 -15.007 16.881 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -13.322 9.834 -7.852 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 -2.506 -3.488 -9.701 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -8.335 -12.115 31.395 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -5.713 -8.801 11.791 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 0.256 -1.222 -2.199 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -4.573 14.890 13.825 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -2.664 -9.284 13.831 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -3.909 -4.897 -5.150 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 -2.468 4.151 24.316 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 17.676 6.791 -9.018 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -7.794 -4.645 -6.763 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 -8.556 -17.532 -1.268 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 6.369 17.602 -18.800 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 1.481 1.428 -1.671 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 -10.342 9.702 8.793 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -10.317 5.236 11.395 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -0.699 1.501 -3.316 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 3.257 -0.443 -3.251 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 5.134 1.292 13.236 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 1.841 4.944 -8.137 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 6.004 -1.666 -9.504 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -1.575 4.647 -6.256 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 3.027 0.209 -6.243 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 -8.687 -8.302 2.959 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 -25.366 12.839 5.270 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 -6.330 -1.345 -1.390 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -22.838 -14.549 3.599 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 11.653 -5.466 -1.436 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 -1.922 -7.509 -1.779 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 -22.800 -22.978 -7.394 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 20.253 -26.145 -7.199 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -0.462 -2.685 -1.438 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 -1.258 1.801 0.323 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 19.206 -15.214 -0.631 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 2.465 -1.013 6.132 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 18.974 6.423 13.708 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 1.247 -0.635 3.870 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 3.058 7.731 -2.817 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 3.776 -0.964 4.545 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 -5.380 13.837 -8.348 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -0.694 -2.258 1.695 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 -19.188 2.022 3.467 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -24.382 4.112 4.069 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -5.609 6.093 -3.123 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 -6.329 19.113 14.544 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -12.540 9.513 -0.563 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -5.959 -0.507 -2.611 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 -12.362 -0.567 7.270 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 15.372 -7.313 -23.440 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 0.585 -2.890 -2.289 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 5.154 3.821 -9.004 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 8.042 6.391 -7.984 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 1.928 -0.412 -0.688 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 15.179 -3.218 7.054 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 6.886 6.342 -9.920 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 4.485 -7.210 3.749 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -10.390 -4.464 -3.850 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 -11.726 19.735 11.242 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 0.619 2.119 1.987 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 8.605 5.038 -13.700 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 -4.493 9.868 22.511 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -0.196 -2.781 -3.937 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -13.298 13.976 34.796 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 1.031 2.016 -10.237 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 1.564 0.897 -1.821 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -13.967 1.123 1.040 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 1.581 10.193 -5.809 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 -0.187 1.694 -5.079 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 10.298 2.117 10.493 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 -12.049 1.543 -40.012 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 1.126 -2.318 6.363 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 -4.659 -3.092 4.924 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 3.877 -6.203 2.100 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 6.624 2.809 -5.301 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 18.704 18.775 -11.213 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 -17.291 22.122 3.535 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -1.112 -2.708 -1.270 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -11.366 0.339 -0.273 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -16.284 0.599 1.444 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 5.877 3.494 1.912 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 7.537 -14.784 3.641 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -9.892 -23.563 -5.278 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 1.279 4.930 3.322 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -18.054 21.350 8.765 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -0.088 3.800 5.262 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 1.102 2.482 -3.519 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 3.649 3.039 -9.398 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 -0.311 -1.599 -15.031 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -2.361 5.879 7.748 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 -3.011 1.499 5.309 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 -8.051 9.995 3.716 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 1.401 -3.163 -5.959 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 1.052 1.928 -3.467 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 0.940 -5.258 -1.856 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -5.310 6.306 5.413 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 -0.515 10.640 3.620 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 -6.319 6.867 6.240 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 0.562 3.089 -5.630 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 1.443 2.722 -19.206 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -8.302 19.992 -8.377 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 -3.578 -5.203 0.325 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 -7.008 -19.942 -4.673 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 -18.384 0.022 -6.473 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 -1.116 2.668 -7.041 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 44.151 25.782 -3.481 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 17.117 -19.446 -0.481 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -0.218 -7.015 -0.109 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 8.578 -3.650 -13.591 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 -9.676 -10.694 14.168 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 2.258 2.509 -2.251 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 5.732 3.893 -2.974 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 1.834 6.022 2.666 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 2.482 -0.799 -4.404 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 2.292 0.026 11.063 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 17.708 25.242 -0.730 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 -5.459 -0.318 2.043 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -5.231 -3.488 -14.560 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 0.385 -13.954 9.432 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 2.430 2.092 3.437 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 5.536 10.070 7.566 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 3.079 11.732 12.977 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -3.813 4.185 7.241 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 7.190 2.869 -2.026 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -0.533 -2.025 2.459 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 3.587 -0.119 -2.486 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 -6.704 -2.537 -21.581 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 5.207 8.623 -9.631 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 -1.443 -2.890 -9.079 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 -5.654 -0.141 2.413 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -1.827 7.979 -0.698 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 4.805 -2.336 5.676 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 8.696 -7.075 0.644 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 9.557 27.855 30.145 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 -2.423 3.041 2.851 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 -7.755 5.759 8.699 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 3.953 1.856 -1.606 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 2.606 -4.155 -6.787 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 -11.959 24.080 -23.176 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -3.833 -2.757 17.187 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 -4.914 -0.327 5.847 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -11.391 1.727 20.726 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 -19.482 -5.435 -19.675 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 3.663 3.360 -3.683 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -10.067 -2.120 -14.974 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 11.542 15.840 -8.306 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 2.855 -3.084 4.722 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 -15.641 -3.414 16.678 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 4.819 -24.534 -3.953 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -5.673 3.794 -0.607 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 16.351 14.259 26.721 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 -29.927 6.030 -1.970 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 -1.609 -1.980 -0.368 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 7.501 0.091 12.462 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 3.749 -5.328 -6.196 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 0.922 7.526 4.333 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -20.082 1.639 12.351 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 -2.371 -0.334 -10.406 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 0.416 -0.236 0.599 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 -5.097 -27.077 -23.082 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 5.821 3.925 -0.363 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 0.436 -3.871 6.559 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -16.477 21.001 35.658 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 6.745 -8.893 -12.890 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 4.055 3.746 -7.342 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -7.553 -1.462 -4.352 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 22.041 7.097 -12.787 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 4.728 -3.070 -1.661 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 5.288 -16.264 -0.203 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 5.414 -20.367 -1.145 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 0.847 1.079 -5.746 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -6.593 0.482 -2.066 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 -34.009 -0.885 42.585 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 -0.755 0.678 7.785 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 11.107 -1.425 -6.699 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 -2.153 -10.110 27.541 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 9.363 -4.715 1.275 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 8.489 -5.413 -0.073 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 1.577 -11.578 -12.292 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 -7.054 -2.283 0.800 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 6.305 1.392 -2.785 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -28.683 -10.928 20.921 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 8.385 1.520 3.199 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 6.883 1.737 5.094 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 10.780 0.307 -0.022 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 -3.527 1.789 0.641 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 -5.970 12.165 6.952 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -2.998 -3.457 -9.537 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 3.706 -0.641 0.714 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 13.706 -1.930 -9.880 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 20.846 5.257 -21.449 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 -1.841 -2.858 0.272 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 -4.975 8.001 -13.071 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 17.350 -19.623 -9.974 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 0.748 6.006 -0.129 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 7.740 -7.113 6.547 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 2.078 9.712 5.663 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -1.644 1.904 8.071 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 -7.012 -5.341 -4.184 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -0.659 5.060 3.508 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 -0.404 8.355 -1.568 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -2.067 -8.908 -12.350 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 22.035 11.558 -6.344 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 5.687 -4.071 -0.684 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 19.181 -6.752 3.848 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -2.023 -4.018 10.338 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -4.042 5.559 1.226 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 17.440 -5.688 26.818 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 -9.174 8.360 11.529 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 3.497 -6.518 0.717 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -1.001 11.195 14.618 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 14.548 -10.036 13.721 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 6.554 2.512 2.276 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 4.355 0.379 13.345 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -9.463 20.286 2.680 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 2.430 8.724 6.079 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 -13.384 8.964 12.002 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 7.967 9.494 2.783 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 0.214 2.659 -1.621 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -11.266 -2.272 10.817 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 2.165 -6.909 1.536 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 4.680 -1.898 -3.108 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 1.910 -0.474 -5.120 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -17.868 1.967 -6.374 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -2.622 5.381 -4.121 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -3.360 24.288 1.056 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -16.327 -10.089 2.272 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -2.108 3.114 -5.206 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -15.228 5.821 19.065 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 -2.249 -16.176 -21.636 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 -7.444 -0.952 2.810 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 -0.104 -0.932 -1.242 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -8.946 12.395 -3.738 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 2.677 -7.485 4.370 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 17.695 21.960 -12.785 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -3.052 -6.214 2.013 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 0.736 -0.058 1.851 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 -2.781 -15.017 6.331 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 11.237 -17.011 13.724 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 0.036 2.492 3.030 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -4.678 3.458 -7.438 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 -21.574 15.667 1.499 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 -8.849 1.062 5.461 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 17.164 -6.781 -12.917 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -9.481 8.808 1.239 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -2.162 5.687 1.029 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 -4.004 6.545 19.781 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 -5.896 5.653 13.665 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 -0.861 4.169 -1.008 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 -5.360 1.583 7.696 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 -0.057 0.717 -3.292 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 -0.837 1.420 -3.432 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 7.605 1.587 -0.469 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -5.802 -1.781 1.162 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 9.314 -8.236 3.783 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -7.305 -16.093 21.357 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 30.416 3.827 21.784 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 2.274 -11.710 2.094 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 -8.023 -6.655 12.978 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 8.237 -17.432 12.310 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -0.035 -0.014 2.037 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 1.945 -16.961 2.494 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 7.263 -0.112 34.409 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 2.045 3.601 -1.561 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -1.371 -3.512 5.070 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 -0.851 2.385 22.772 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 -0.803 2.309 1.411 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 11.962 6.929 -6.749 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 8.539 19.599 -38.367 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 2.873 -0.817 -3.116 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 -9.190 12.861 15.925 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 8.431 -7.067 -11.453 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 1.088 -3.270 2.707 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 -10.427 -0.119 -4.371 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 -5.954 -1.302 -1.136 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -1.480 -0.528 -5.873 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -20.389 -15.139 10.949 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 -13.291 -4.324 10.459 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 0.473 3.869 7.326 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -6.159 4.983 0.845 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 1.832 8.171 4.369 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -0.538 -6.139 4.187 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 5.600 -5.602 6.813 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 -2.122 -3.599 -0.648 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -3.008 0.183 -3.685 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 0.096 -3.303 0.749 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 14.192 -5.156 7.481 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 0.122 1.358 3.221 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -26.235 13.725 0.926 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 1.445 -23.045 33.484 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 3.107 5.054 -3.929 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 5.990 -2.621 -4.044 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 2.811 9.141 -2.486 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -4.644 -10.365 7.066 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 -21.531 -5.490 3.517 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 11.563 -11.726 -12.070 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 -3.939 -1.655 4.895 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 -2.604 41.432 -22.911 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -10.655 -12.605 -9.694 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 0.614 -0.327 -8.860 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 18.875 -4.102 -6.145 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 3.111 1.564 5.169 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 3.373 -7.507 2.690 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 7.221 -2.580 -6.171 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 -8.012 -1.826 15.207 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 3.004 2.629 2.842 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 4.280 -16.073 -18.295 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 2.503 6.607 9.833 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 3.711 -2.702 5.941 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 -3.948 -3.489 4.172 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 -7.757 2.820 -8.599 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 4.717 6.306 3.070 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 15.858 11.111 -14.430 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 3.806 5.729 3.969 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -3.768 -0.001 8.087 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 6.396 -19.981 2.707 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 15.739 4.667 8.399 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 3.140 -3.558 -5.498 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 9.470 13.914 -3.152 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 6.163 8.211 21.649 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 0.863 -7.481 -0.571 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 13.564 -0.964 0.340 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 0.592 -1.888 -17.637 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 -0.811 0.574 -0.183 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -4.774 2.512 5.733 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 4.774 7.232 14.791 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 7.142 0.251 6.221 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 1.703 -17.157 -10.260 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 0.958 5.233 5.556 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -2.245 4.584 8.045 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 -5.041 5.974 8.248 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -14.030 2.742 -4.475 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 1.175 -2.317 -2.564 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 0.086 -0.563 31.462 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 24.605 -5.287 -3.032 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 -2.127 3.042 4.049 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -20.992 3.168 -0.673 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 9.610 -1.413 1.770 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -3.669 1.773 -2.275 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 4.162 -13.679 -6.379 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 -18.601 24.392 25.650 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 2.880 0.066 -5.836 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 24.289 -5.469 -12.216 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 7.245 -12.285 0.976 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 8.371 -4.799 -3.657 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 -4.961 -18.194 0.434 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 4.359 4.832 4.928 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 -1.012 -5.961 -2.712 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 1.698 -10.332 8.763 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 -17.332 -6.541 2.816 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 6.530 6.628 -3.544 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 4.297 7.649 -17.706 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -0.909 4.113 1.618 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -5.890 -2.619 7.186 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 16.548 -10.026 22.917 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 0.661 13.756 22.072 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 -3.280 -3.824 -4.169 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 -8.906 -4.062 -3.411 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 -10.856 16.259 9.622 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 -2.094 4.421 0.023 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 3.520 2.791 -0.736 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 13.346 -10.529 1.967 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 -1.263 -9.914 -7.564 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 -28.086 -7.048 -13.047 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 -2.288 -9.489 14.752 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 -6.094 1.128 -4.814 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 15.866 28.394 -3.735 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -19.911 -13.546 -1.460 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 0.666 -2.383 4.091 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -9.110 -5.525 20.710 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -14.567 1.554 11.478 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 -1.616 -0.418 -4.268 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 18.567 4.948 -14.708 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 -15.553 8.321 -2.831 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 -4.141 -0.641 1.992 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 1.446 2.913 -5.292 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -10.106 2.502 -1.450 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -6.426 -1.525 -2.953 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 17.334 -2.906 0.105 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 -14.660 -9.814 -3.226 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 2.791 3.488 -1.723 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -13.725 7.627 3.130 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 -5.659 15.549 12.591 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 2.199 -0.257 1.473 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 17.116 -7.331 -20.726 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -20.493 14.131 31.177 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 -2.098 7.739 3.917 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 13.908 -5.897 14.206 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -10.034 -9.266 -8.433 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 12.690 1.516 5.567 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 3.613 9.741 12.202 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 13.339 0.402 8.165 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -1.093 6.438 -5.470 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 11.426 5.813 -4.378 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 -2.073 9.394 -3.488 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -4.776 1.696 -2.191 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 8.570 -4.222 -1.698 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 25.891 15.408 13.569 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 4.298 -3.639 -0.772 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 -3.453 -8.617 -0.573 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 5.756 2.658 6.715 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 1.605 1.624 -4.139 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -0.734 18.984 10.250 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -13.490 -10.629 1.269 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 5.885 3.184 7.310 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 -0.836 0.554 8.897 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -7.760 -0.610 -4.766 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 -1.619 3.346 -1.534 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 11.248 -1.046 3.297 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -19.535 8.409 -6.590 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 2.157 0.343 0.019 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 -11.517 10.778 13.244 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 7.300 -4.019 0.941 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 -5.256 6.606 -0.260 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -8.630 -1.713 -3.007 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 2.572 7.779 -12.837 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 0.312 -1.959 4.324 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 8.753 -17.121 10.636 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 4.429 19.675 15.051 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 3.639 0.702 3.039 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -1.885 -1.861 10.295 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 10.246 -14.443 -7.198 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 4.685 -4.116 -1.356 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 27.225 29.666 -9.769 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 -2.810 -24.286 -17.221 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 4.406 2.633 2.289 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 -3.402 23.144 10.615 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 -4.144 16.095 6.918 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 2.061 -3.312 -5.151 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 25.593 0.153 -8.850 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 -0.377 -0.319 15.666 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 -1.611 5.870 7.878 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 -6.406 6.515 5.172 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 0.161 7.270 11.710 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 0.360 0.506 -5.393 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -9.019 8.377 -6.099 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 6.493 0.624 -7.452 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 1.790 3.118 3.997 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -9.983 -24.746 2.017 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 3.642 10.220 -5.501 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 2.337 2.914 -1.835 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 2.087 16.265 -1.803 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 -9.158 12.493 31.321 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 4.184 2.996 0.424 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 3.166 -14.425 17.538 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -0.571 5.633 -10.335 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 4.880 -0.798 -1.861 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 6.152 -36.114 -6.128 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 -19.099 2.021 -6.498 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 2.090 -4.311 0.141 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 3.327 -0.347 1.034 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 2.637 -15.387 2.492 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 -2.286 3.484 1.458 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 5.251 -10.369 -1.542 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 -20.131 3.730 4.819 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 4.550 -0.325 4.551 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 12.555 -3.744 -8.089 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 5.040 -4.957 -5.616 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -3.452 0.735 -6.895 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 -13.277 -22.791 -0.248 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 2.119 7.737 -16.487 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 0.487 -0.380 -3.941 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -1.367 1.703 -2.928 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -17.738 12.482 -0.104 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 3.752 2.485 3.400 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 -16.829 -2.222 0.755 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 -28.904 -19.496 5.714 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -0.571 0.124 2.094 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -11.605 -2.619 -4.306 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 17.299 13.041 -20.894 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -0.321 2.708 3.450 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 -3.436 -5.984 -2.196 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 -3.419 14.428 7.300 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 6.809 3.789 0.402 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 18.189 0.624 -11.992 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -0.401 -19.692 -0.331 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 3.204 2.084 5.881 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -0.707 3.063 4.114 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 6.666 -2.762 3.078 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -1.897 -1.465 -5.995 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -16.228 -2.491 -7.864 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -14.279 2.955 -28.077 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 2.903 0.621 -2.998 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 9.472 -5.256 -7.236 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 27.992 -19.533 18.546 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -4.319 2.442 -3.187 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 -5.322 -15.695 -10.503 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -7.652 14.119 -18.581 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 3.969 9.253 -5.107 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 -5.693 -2.317 -1.794 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 25.705 10.424 15.417 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 5.108 2.265 -0.416 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 12.490 -1.287 1.341 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 6.441 2.339 0.165 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -1.995 6.201 -0.683 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -4.926 7.925 -2.828 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 -2.972 3.213 1.479 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 5.478 6.340 -5.352 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 -0.434 6.003 -14.693 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 1.159 1.505 13.790 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 0.402 1.039 1.294 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 -7.156 10.112 12.036 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 14.999 -3.811 4.757 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 5.437 2.052 1.234 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 5.526 28.396 -5.165 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 -16.835 -5.020 0.644 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 -0.193 3.802 -2.344 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 6.396 6.989 -11.568 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 5.165 8.746 6.211 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 -3.635 1.881 1.524 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 -14.891 -6.100 10.521 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 -8.197 14.491 1.021 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 2.797 -4.015 2.662 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 -8.683 9.346 -10.268 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -5.616 -24.545 -16.733 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -5.049 -1.190 -0.661 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 19.942 -16.737 -23.888 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 -0.455 -8.622 40.186 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 5.435 1.166 -3.021 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 4.294 10.272 7.864 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 20.261 -3.145 -2.758 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 -9.977 -6.032 -4.060 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -5.146 -11.791 -8.688 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 -22.870 23.765 -13.724 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 5.487 -3.710 -5.566 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 5.374 -5.502 -0.736 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 6.271 -8.734 15.065 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -1.113 -1.148 1.885 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 5.306 -6.850 -1.358 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -9.927 10.449 6.384 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 7.026 0.963 0.355 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 15.247 6.613 -6.933 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 4.492 -1.661 3.755 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 0.835 4.889 -0.459 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 -4.590 -4.236 3.576 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 -0.703 2.419 0.374 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -0.169 2.663 -0.224 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -3.262 8.830 -3.226 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 -4.140 -5.120 -0.860 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 1.936 0.008 1.135 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 -0.016 15.997 14.557 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -1.194 -2.605 18.964 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 5.497 -1.085 4.995 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 10.722 -14.754 20.461 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 20.118 2.613 -5.908 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 6.788 -7.877 1.815 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 13.928 5.683 -14.561 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 -2.102 -2.872 -8.329 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 -1.234 5.310 -3.662 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 19.009 -21.280 -16.006 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 0.101 -1.192 28.243 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -3.071 -2.981 -2.098 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 6.544 0.302 -14.705 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 6.237 -3.943 -3.548 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 3.127 -2.240 0.959 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -2.266 -2.271 10.639 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -3.778 -6.430 -2.524 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 2.236 0.586 6.672 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 11.239 -1.498 0.183 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 -10.725 -8.722 22.502 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -3.484 -1.145 0.765 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 1.401 -14.147 -13.052 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 13.843 -4.427 0.704 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -1.606 -4.841 -0.772 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -4.358 16.046 -14.021 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 6.837 15.004 -1.638 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -3.179 -0.703 -0.269 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 -12.912 -7.966 8.207 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -9.316 -3.341 4.375 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -6.351 1.748 1.140 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 -20.207 23.183 -17.154 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -11.877 -0.971 11.315 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 2.248 3.395 -4.459 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 -6.353 6.768 18.383 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 -17.646 16.258 -26.817 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 -1.160 4.917 -1.791 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 10.766 8.651 -3.768 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -24.312 -9.603 13.845 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 0.044 0.071 5.109 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 9.381 -16.816 3.843 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 9.860 14.842 -1.403 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -0.726 1.921 0.485 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 1.685 -9.419 -10.981 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -5.563 -3.170 0.683 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 -2.696 1.301 -0.196 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 -5.484 -7.142 1.521 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 -7.349 5.768 1.095 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -4.109 1.046 -1.360 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -13.307 2.570 -4.894 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 12.820 4.404 -11.584 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 1.368 0.872 -5.198 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 4.253 2.866 -5.595 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -4.449 5.704 -5.817 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 -1.380 -3.106 -4.501 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 2.418 -16.470 4.248 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 7.635 -5.802 -16.688 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 5.764 4.127 1.225 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 21.985 2.168 -1.143 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -3.683 -3.826 9.313 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 -5.822 1.138 -2.282 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 16.212 5.738 -13.209 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 -24.478 -9.506 -2.827 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 4.540 -1.476 2.030 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 10.103 5.436 9.993 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 5.500 -11.418 11.453 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 5.347 -8.249 0.170 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 -7.154 -15.107 5.126 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -11.556 -11.105 -9.124 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 -5.359 0.682 -3.351 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -9.906 9.386 12.900 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 18.415 -7.027 0.896 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 3.621 -0.731 -1.787 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 -2.915 -4.550 -2.861 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 7.707 -4.751 3.880 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -3.919 0.829 -3.223 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -2.057 11.893 24.315 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 -0.589 5.238 9.180 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 -1.225 2.071 4.976 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 6.615 9.976 6.572 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 3.079 -1.536 -5.635 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 -0.120 2.360 -9.146 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 10.876 11.456 -21.622 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 13.671 -7.864 -10.547 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -2.542 0.875 -2.095 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -0.229 -10.218 10.595 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -13.112 0.425 -19.020 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 -3.277 0.794 -1.797 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 2.814 18.508 -13.715 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -2.955 1.975 -2.101 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 0.077 -5.129 2.014 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 15.302 -6.574 23.072 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 16.733 -8.357 19.276 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 2.374 1.045 -1.695 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 2.361 36.668 -4.446 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 -1.531 -8.630 -3.235 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 4.968 4.924 5.747 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 12.464 1.405 8.026 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 1.145 8.974 13.787 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -5.471 1.933 -4.947 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 -3.449 4.915 -4.684 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 -7.492 2.846 -8.616 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 12.324 -3.906 -1.602 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 22.065 8.490 0.269 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -1.184 8.330 -4.806 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -2.160 1.858 -1.718 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 -1.633 -8.488 1.588 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 0.668 8.952 0.515 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 6.026 0.341 1.815 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 3.136 2.907 -3.497 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 3.935 -12.095 -4.319 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 1.872 -1.984 -7.238 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 3.628 7.271 2.475 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -7.580 -18.940 -7.856 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -5.034 2.072 2.336 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -0.023 15.847 -5.675 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 7.318 3.115 9.729 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -3.691 -8.003 -9.321 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -7.224 7.678 1.939 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -15.084 17.925 -17.250 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -8.482 2.135 6.737 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -18.343 6.573 -2.011 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 3.163 -0.988 16.955 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 2.954 1.433 0.593 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 3.138 3.493 6.333 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -3.827 6.612 9.169 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 0.523 -0.267 -5.031 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 5.530 -3.355 -13.330 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 8.748 -16.337 -10.610 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 8.243 1.753 -1.308 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -16.459 -30.416 7.038 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 -3.320 -2.769 19.060 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 2.844 4.139 -0.368 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 0.109 -13.694 -7.009 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 10.891 -23.154 -0.915 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -5.615 -7.765 -2.134 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -19.546 -29.991 -21.068 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 -4.550 -12.260 18.876 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 1.344 -2.388 8.167 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 -18.786 -11.092 -6.783 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 -8.798 -4.897 -6.986 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -4.428 -0.379 -0.306 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 -6.270 8.793 10.185 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -3.957 -23.823 6.475 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 3.301 -0.288 -1.253 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 -7.196 12.788 5.445 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 -3.322 10.864 -1.203 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 5.674 -0.387 -2.084 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 -2.846 -5.534 5.215 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 -0.711 -2.880 -19.600 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 -0.038 -2.566 0.531 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -0.601 5.407 2.918 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 0.747 31.066 11.709 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -3.474 0.105 -0.809 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 21.786 2.297 3.139 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 -1.395 3.363 19.386 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 -9.370 -3.167 3.410 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 -8.462 -1.908 3.624 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -9.530 1.851 4.929 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 3.729 2.729 -7.346 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 -5.330 -7.522 3.850 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 3.761 10.415 -7.623 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 0.353 -1.217 3.000 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -1.257 0.849 18.401 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 -2.041 -4.065 18.296 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 -5.994 6.440 2.700 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 4.238 -2.320 -7.458 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -4.861 -5.029 17.386 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 1.712 -2.218 5.356 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 -10.996 8.225 -12.084 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 9.561 25.148 -10.836 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 0.990 -1.416 -3.557 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 -1.820 -12.416 24.718 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 9.686 10.844 -29.417 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 0.487 -3.980 -0.480 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -1.454 6.827 -0.016 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 16.445 -3.809 -3.372 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 4.414 3.683 -0.953 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -9.376 -22.372 7.327 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 39.892 10.259 -22.443 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 0.454 -0.157 -7.061 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -11.635 -44.414 37.271 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 17.978 21.489 -6.326 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -4.813 -1.074 -2.947 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -10.890 -6.190 5.006 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -8.333 -20.034 -16.380 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 -4.294 -0.069 -0.037 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 0.254 -1.226 -6.033 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 11.879 11.540 6.468 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -6.119 2.127 -2.042 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 -12.961 22.267 8.974 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -14.144 23.334 9.476 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 0.633 -2.370 -1.362 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 -12.234 19.337 19.985 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -5.075 15.064 0.109 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 0.742 -5.468 -5.487 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 -3.011 -5.502 -13.811 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 25.539 2.202 -9.128 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 -3.827 2.026 -3.244 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 -12.140 -0.838 -8.667 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 -5.634 -1.500 -4.081 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 5.612 0.301 6.472 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 -0.755 -3.071 7.282 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 9.838 -9.535 5.540 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 0.717 -3.635 0.837 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -4.898 12.877 5.171 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 4.160 -14.186 -1.970 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 1.165 0.166 4.096 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 13.438 11.027 17.382 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -1.125 -7.156 -6.465 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -0.420 -2.931 -4.117 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -9.929 -0.076 -0.973 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 7.570 -7.763 -1.422 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -3.048 7.250 -1.788 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -3.006 10.045 -11.921 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 5.806 20.811 3.246 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 -2.895 1.382 -2.142 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 -17.344 -23.635 3.966 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 -0.094 1.861 -7.456 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -0.725 0.812 -3.926 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 21.083 11.346 -20.206 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 11.102 2.919 22.888 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 -1.789 -5.165 3.187 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 -2.820 -2.158 3.841 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 -0.578 2.172 9.242 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 -2.664 3.118 2.677 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 3.800 -17.462 14.049 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 4.390 7.147 -13.679 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 8.210 0.314 -0.072 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 14.699 -7.269 -9.831 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -5.508 15.660 10.315 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 0.342 0.717 -4.160 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -12.233 5.669 -23.417 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 14.569 -17.313 16.659 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 5.512 7.205 -2.827 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 7.155 10.205 -3.513 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 1.786 11.995 -0.217 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 0.915 -1.796 -3.791 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -20.235 6.867 -4.777 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 7.033 -4.740 -3.149 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 -1.395 2.754 -5.581 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 10.248 8.514 -11.176 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 -0.554 -9.136 30.371 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 6.989 0.330 -2.140 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 7.296 0.809 -2.571 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 5.753 -0.375 -2.601 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 0.212 -3.522 7.915 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 34.100 -22.858 35.507 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 -9.948 6.083 -4.005 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 3.066 1.621 -6.946 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 -3.495 2.862 4.690 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 17.785 -15.379 -13.987 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 1.306 1.199 3.140 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -4.266 -1.266 2.257 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 9.816 -16.431 -1.810 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -1.574 3.511 -3.673 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 -1.739 -3.253 -16.221 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 2.457 15.781 4.974 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 0.659 -3.150 -8.219 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -0.663 -0.315 9.867 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 -5.966 7.882 -16.998 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -0.246 -3.789 3.793 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 16.917 -17.545 6.275 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 -32.639 19.001 7.179 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 -3.347 4.725 0.865 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 6.981 3.741 6.607 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 -8.963 -3.429 -2.917 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 3.201 6.008 -2.735 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 -7.289 -11.608 -12.450 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 6.398 15.323 -1.183 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 10.439 4.409 -2.763 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 3.973 16.919 -12.327 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 -7.387 5.834 -2.212 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 5.514 0.920 -1.579 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 18.063 7.405 -9.788 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -3.018 -10.278 3.592 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -5.053 0.713 0.798 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 -17.680 -14.928 -12.709 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 6.106 6.716 1.612 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 4.739 2.868 3.323 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 15.516 5.554 -13.567 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -11.853 -10.195 2.126 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 -2.580 -1.087 2.893 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -4.004 -4.027 -2.482 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 -12.982 -5.496 0.835 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 3.046 2.687 -1.716 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -8.422 7.450 -6.283 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 -2.525 0.066 4.780 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 2.692 -1.128 5.325 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 14.625 21.675 -4.353 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 2.967 11.748 -22.310 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 2.337 7.309 2.237 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 18.363 -10.352 0.820 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 -9.501 -15.241 -3.177 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 -9.324 2.896 -1.816 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 -0.743 14.355 -0.519 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 -1.484 20.513 3.641 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -3.754 5.883 4.432 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 6.695 2.175 1.448 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 -14.138 17.996 -5.704 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 -5.916 4.260 -2.869 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 -8.217 3.023 -2.021 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 6.464 3.503 16.066 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 -2.114 -1.933 -0.875 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 13.682 2.494 -24.178 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 0.490 -1.324 -4.094 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 -2.264 -9.484 3.521 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 0.892 -6.097 -1.157 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -0.097 3.981 -3.506 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 4.062 -0.242 8.423 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 1.884 -15.850 10.241 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -16.912 -1.878 0.882 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 -2.589 3.931 7.816 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -18.732 3.536 -9.789 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -5.759 8.462 2.725 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 2.922 4.090 3.167 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 45.697 31.370 -8.972 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 8.911 -3.406 -10.813 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 -0.333 2.381 -1.051 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -23.104 -9.860 -18.553 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 7.501 -23.367 12.438 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 0.880 3.724 -2.966 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 5.362 1.237 -0.853 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 6.266 1.257 -0.710 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -2.405 -6.167 4.583 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 -0.490 -5.148 5.594 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 0.963 -4.399 8.130 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 0.027 -0.198 0.243 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -8.871 1.151 2.169 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 3.425 1.026 2.922 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 2.155 -0.862 -1.099 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 0.194 1.392 -8.042 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 10.679 7.219 -23.309 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 -2.421 -7.628 3.244 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 5.243 -5.295 10.953 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 24.066 3.803 20.507 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -2.749 -4.261 0.822 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 25.912 -0.318 -18.014 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 -14.243 -1.556 8.396 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 1.114 4.735 -9.611 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 17.337 -9.032 1.262 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 -2.240 23.434 4.648 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 2.406 3.310 -2.790 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 4.496 14.130 7.448 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 2.595 30.710 14.152 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 3.803 3.505 1.999 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 -2.929 9.021 3.717 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 -3.999 -10.638 20.031 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 0.746 -1.458 -2.070 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -1.618 -2.782 -4.053 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 5.699 -6.300 -9.628 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 0.873 3.777 0.625 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 3.753 3.077 11.730 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -20.065 3.202 22.068 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 3.437 4.912 -1.406 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 5.147 -3.433 1.271 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 12.795 -5.272 8.277 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 0.414 7.214 -2.681 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 8.633 28.832 0.722 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 -18.329 2.183 2.552 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 -4.684 -4.247 1.872 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 16.656 32.087 26.614 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 16.489 5.421 -0.424 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 6.230 1.880 -1.611 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 3.173 -13.259 19.889 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 7.403 18.673 -11.147 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 1.795 -0.399 1.056 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 5.690 -9.450 7.268 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 14.932 7.481 -9.499 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 -4.166 3.550 -7.681 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 -12.075 -9.731 1.787 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 1.624 10.647 -8.037 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -0.115 4.487 3.408 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 7.855 1.391 -6.345 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 5.154 1.120 3.545 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -3.065 -3.195 -3.433 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 8.023 -2.214 -6.420 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -3.831 -3.348 -3.845 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 1.651 -6.324 -4.799 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 17.036 -8.013 -15.060 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -4.797 -5.925 -0.235 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -1.571 10.952 -1.616 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -12.545 2.791 3.470 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 8.642 16.908 -5.994 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -0.060 -0.263 2.122 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 1.380 -16.922 -35.825 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -5.885 -2.087 4.732 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 0.314 5.622 5.917 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 -5.142 -11.251 11.948 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 12.251 9.591 0.986 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 2.819 3.384 -0.174 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 -10.330 6.842 1.476 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 8.993 16.573 13.356 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 1.205 -4.395 1.698 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 10.938 -7.800 12.805 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 2.893 10.873 12.790 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -1.785 5.253 0.389 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 -3.739 2.994 -0.188 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 1.585 8.277 1.659 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -1.848 -8.534 3.593 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 0.118 -8.506 13.158 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -12.483 -9.213 -43.407 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 0.855 1.317 1.384 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 -1.217 -0.950 -11.041 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 5.228 -2.339 5.679 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 0.851 9.638 -5.201 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 8.167 -10.184 17.388 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -28.372 5.779 -13.728 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 -1.762 0.448 -3.182 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 24.140 -11.530 -21.708 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 -10.216 26.759 14.539 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 -1.027 0.963 -4.791 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 0.693 -14.900 17.708 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 -0.610 -12.252 -8.103 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -0.777 0.534 -1.840 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 -3.844 -7.464 -2.974 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 7.808 -7.050 22.159 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -1.340 5.405 -4.172 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 4.365 16.473 8.048 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -8.875 -12.561 3.998 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 1.512 -2.953 2.621 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 17.309 -10.909 28.093 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 0.156 -4.580 3.466 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 -4.890 -1.205 1.980 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -3.570 6.403 -5.072 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 0.091 -3.192 19.060 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 1.420 -8.513 3.313 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 -10.445 3.714 1.288 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 16.716 -13.256 7.527 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 3.415 3.899 -4.585 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 3.754 -0.007 -25.592 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -2.996 0.033 -3.267 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 2.147 8.821 0.140 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 -2.061 5.873 2.026 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 4.338 8.767 -2.562 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 2.391 -3.684 -1.497 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -22.314 -1.146 -0.011 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 9.683 -26.709 14.877 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 4.257 -6.194 1.607 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 2.749 -18.598 11.020 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 3.224 9.938 -12.775 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 8.577 -6.766 -4.432 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 -18.263 -2.843 30.125 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 -11.994 -15.628 32.434 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 2.932 3.870 -4.922 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 17.094 -9.488 13.918 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 4.123 6.082 -6.145 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 1.553 0.573 3.563 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 8.087 0.011 20.715 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -6.289 -1.846 -13.504 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 -3.090 -3.563 5.804 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -2.365 7.788 16.213 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 8.285 1.401 0.419 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 1.858 1.716 4.252 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 -10.363 -6.294 24.358 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 4.800 3.488 -0.102 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 2.555 0.670 7.306 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 14.907 -11.160 5.228 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -0.734 12.166 1.076 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -1.863 5.476 -0.820 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 28.097 3.342 1.953 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 9.389 -5.374 -5.463 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 -8.116 3.230 -3.586 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 -9.053 -5.737 -6.593 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -5.649 -2.172 -0.207 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -3.561 -0.190 2.375 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 4.025 -3.211 0.822 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 3.305 3.598 -1.308 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 2.604 3.361 -0.815 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 0.780 4.111 0.709 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 7.154 3.390 -3.171 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 -6.045 6.390 6.064 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -21.165 22.425 -10.123 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 15.655 18.890 -13.171 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 -0.662 -6.824 -0.447 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 1.105 -4.467 -4.623 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 2.601 -2.810 -7.702 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 -2.196 -2.440 5.307 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 10.414 7.204 -6.890 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 1.319 3.040 8.497 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 5.886 1.651 -6.334 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -11.840 6.105 -1.941 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 -17.623 7.609 -0.569 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 -4.677 3.516 -2.013 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -21.820 -4.529 9.968 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 9.475 7.716 -2.616 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 -1.554 -0.545 -6.235 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 10.165 6.327 -12.844 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 4.787 -7.263 -9.762 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 2.146 3.064 1.811 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -3.435 -4.120 9.571 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 5.980 3.935 8.565 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 6.635 -4.768 -2.760 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 0.598 -2.004 -20.221 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 14.274 7.848 17.027 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 -1.819 4.050 -3.958 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 9.826 -23.404 -2.608 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -5.612 -5.243 4.439 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 4.705 -8.418 1.607 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -0.889 -12.067 -6.486 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 5.625 -5.100 6.147 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 3.194 -4.905 -1.582 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 4.389 0.237 10.430 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 -5.528 -23.339 0.492 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 2.418 0.295 2.702 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 -5.555 7.877 2.374 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -13.651 17.331 3.782 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -2.268 7.041 6.135 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 2.152 19.430 7.727 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 18.733 1.552 21.582 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 -0.976 2.472 -0.817 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -4.332 16.206 9.568 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 9.306 -9.428 -15.742 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -5.295 0.933 5.585 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 17.299 -8.293 15.149 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 7.516 -4.914 10.128 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 -2.329 1.425 3.715 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 -22.154 -11.695 30.752 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 -9.128 5.064 -14.547 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 -1.628 -1.117 0.240 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 -1.432 -6.934 0.771 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 3.869 -0.253 -9.870 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 1.278 -3.231 8.319 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 0.881 -15.567 2.247 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 11.104 45.780 -12.679 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 -3.265 3.742 -2.907 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 7.645 0.253 5.902 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 -9.180 3.344 -5.445 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 -0.720 2.757 -6.975 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 19.015 10.440 24.818 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 5.624 2.921 1.671 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 1.878 0.691 -0.545 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -7.696 11.229 4.780 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 10.024 -20.677 -5.773 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 0.539 -2.914 -1.704 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -9.909 -3.850 -0.352 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 35.049 -3.611 -12.584 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 6.422 -1.129 -1.210 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 -14.311 -12.222 2.677 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 -8.943 -4.320 -24.205 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 3.931 -4.325 0.114 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 11.404 -14.848 -21.232 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 3.635 -10.555 -22.191 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 5.413 7.807 1.947 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 6.590 4.562 9.585 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 3.305 17.237 -23.462 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -7.573 5.054 4.315 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 -18.489 10.921 19.671 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 17.288 12.483 -3.905 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 2.875 -0.135 1.916 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 -17.214 21.869 28.606 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 -8.346 7.923 6.411 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -2.066 0.677 5.085 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 2.611 -10.291 -19.280 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -41.637 -3.371 26.708 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -2.339 7.381 3.253 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 5.068 5.992 -2.109 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 21.678 2.751 -15.292 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 -4.952 0.298 -0.916 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -25.208 -12.392 8.130 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 -7.937 0.062 -3.636 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -2.913 -1.174 2.539 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 10.769 -23.983 7.281 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 -17.496 -4.577 -11.392 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -2.409 -5.923 3.420 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 2.117 17.936 -1.105 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 4.843 -0.643 7.504 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -1.778 0.166 -1.791 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 3.540 -5.441 2.296 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -5.940 -0.600 3.079 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -2.877 0.750 -0.487 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -9.933 -3.890 -5.178 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -6.917 5.564 -2.861 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -0.860 -4.050 -2.655 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 1.842 -9.515 36.415 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 6.318 0.117 -21.032 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 1.011 0.128 -4.013 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 -8.327 6.301 -7.512 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 2.033 17.720 -15.733 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 1.325 -2.190 6.050 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 5.662 8.084 -12.816 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 -11.539 0.567 6.021 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -0.526 1.399 -7.362 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 -15.474 -20.807 -18.947 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -0.134 6.635 10.879 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 -0.597 -3.192 -4.387 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -6.417 23.727 15.913 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 17.192 21.592 -11.514 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 5.144 -3.000 4.569 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 4.109 6.662 -3.907 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -5.169 -5.235 -10.266 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -4.886 -8.345 -3.692 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -10.469 -9.025 -6.821 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 12.331 2.456 9.951 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 -2.140 -4.881 0.149 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 -2.514 -3.834 0.717 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 5.385 -14.281 -7.877 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 -2.144 -2.664 3.638 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 -3.521 3.779 22.809 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -17.882 -7.784 35.168 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 2.749 1.459 -3.227 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 -0.698 0.706 -0.793 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 6.837 5.605 -19.500 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 1.776 -1.808 -3.185 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 20.820 3.381 2.946 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 5.076 12.832 6.600 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -1.433 -4.391 -0.847 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -2.358 2.591 1.456 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -5.216 -8.943 -3.391 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 -5.439 2.620 5.774 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -22.732 13.231 -8.353 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 2.767 -6.460 -3.961 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 4.444 -7.636 0.643 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 -7.244 -13.994 -6.370 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 2.086 -7.698 3.543 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -2.475 -2.066 -3.456 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 0.732 5.350 -11.250 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 6.942 16.619 -23.902 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 9.345 -1.526 3.148 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 3.577 -26.483 -13.092 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 10.200 3.477 5.679 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 5.006 0.938 -1.757 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 3.936 4.362 1.298 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 1.341 18.749 13.482 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 -5.282 1.066 -0.737 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 -0.606 7.697 1.326 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 -10.109 -8.634 0.804 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -3.762 12.946 -4.247 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -0.292 8.234 -1.931 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -1.683 3.260 -4.470 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -3.241 2.847 -0.779 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -22.283 -2.296 6.928 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 -9.188 2.881 9.745 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -1.192 -2.262 -0.096 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -14.689 8.507 -14.936 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -17.574 -10.556 16.931 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 -0.018 -2.489 -1.179 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 -5.456 7.483 10.126 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 -10.880 8.085 15.598 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 2.296 -3.769 -0.410 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 11.384 6.703 -4.923 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 14.455 -6.424 -2.824 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 -2.946 -10.740 -1.247 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 4.956 -12.928 -29.021 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 -17.378 -27.800 -9.598 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 2.691 3.191 -6.785 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 6.697 20.324 -6.632 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 1.506 2.032 -4.673 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 2.286 8.000 -2.463 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 -3.489 9.687 3.886 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 -27.796 -5.468 17.707 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 -3.803 -7.685 -5.058 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 11.888 -6.055 -0.419 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -9.412 -15.913 7.223 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 3.787 1.389 6.824 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 9.298 -22.139 15.791 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 12.326 -17.957 10.399 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 4.403 -3.902 4.408 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 -18.421 -5.082 5.083 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 -7.254 -4.192 4.980 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 4.225 -2.689 -9.342 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 21.852 -6.355 1.225 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 2.386 20.385 -13.853 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.711 3.133 5.038 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -17.131 -20.569 -3.713 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 -3.632 14.920 -4.720 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 2.766 -1.981 -0.198 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 3.804 -11.793 3.810 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 -6.052 -7.702 0.818 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 3.438 0.238 -4.728 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 13.739 -15.726 4.703 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -7.606 26.574 0.599 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -4.392 -0.789 0.753 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 7.319 -17.620 -12.441 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 7.030 -0.015 31.170 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 2.239 -1.340 0.199 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 16.836 22.862 -0.416 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 -0.573 -2.021 -8.285 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 2.411 -2.207 6.020 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 -1.163 8.632 1.727 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -3.735 -2.928 14.073 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -4.738 -1.763 3.748 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -18.994 11.526 4.773 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 4.156 -4.695 5.818 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 -1.975 1.710 1.552 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -16.570 8.894 -14.996 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 3.796 21.202 16.256 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 0.890 -1.894 -2.245 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 -14.476 -1.813 6.052 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -14.430 1.849 6.131 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 4.121 -4.358 1.302 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -1.409 1.163 -9.166 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 4.519 -14.433 2.210 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 2.830 -4.577 0.264 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 2.623 4.482 -14.990 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -1.205 0.776 25.105 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 -2.503 0.731 2.136 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 9.345 9.683 4.140 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 -20.155 5.189 21.853 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -3.318 -1.644 -6.418 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -10.991 -0.905 -6.262 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -8.972 -4.313 -6.108 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -5.295 -3.145 4.069 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 7.524 -10.267 -11.545 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 -5.561 -3.123 2.593 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 2.293 5.978 0.114 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 4.335 6.044 -0.926 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -1.260 11.368 -7.266 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 3.075 -2.337 -2.206 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 0.806 10.038 14.440 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -11.021 5.126 -14.560 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 -3.672 -3.043 0.825 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 -2.160 13.734 6.696 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -1.124 -31.261 -18.978 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -1.303 5.893 2.592 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 -3.252 5.496 1.618 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -7.387 22.016 -2.828 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 -3.044 3.828 -0.294 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 -14.329 -8.478 -31.487 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 1.074 7.938 4.405 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 -9.591 1.934 1.309 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -11.608 9.473 -26.252 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 -5.670 -2.635 -12.853 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -5.211 3.955 3.532 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -6.356 9.415 -1.658 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -0.956 -1.887 6.219 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 -5.406 -3.704 2.378 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 6.559 12.400 2.516 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 -17.637 -28.090 5.210 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 1.069 0.624 -4.722 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 10.493 -9.918 11.696 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 21.151 -21.973 -22.657 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 -0.425 2.989 -2.967 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 -1.921 -15.158 -13.754 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 22.429 -7.161 -9.508 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 -7.403 -0.655 5.988 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -20.957 -3.524 -4.428 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 4.607 -10.723 14.264 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -0.883 0.520 2.119 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 -7.994 15.947 -24.421 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 -27.013 4.055 17.829 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -1.582 -3.784 2.631 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 13.198 -2.894 0.996 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -6.770 -8.916 0.919 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 8.843 0.125 9.179 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 16.713 6.600 19.423 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 -17.450 -12.743 -11.589 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 3.486 0.625 -1.555 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 -7.699 -2.382 -6.991 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 4.131 0.071 -11.759 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -0.620 3.522 -0.494 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 6.809 -20.082 -1.260 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -5.506 17.976 -16.027 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 -6.472 1.807 -3.001 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 -12.786 -9.276 9.411 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 -0.646 11.661 -13.222 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 -1.984 -1.291 -0.387 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 14.613 6.868 15.959 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 4.276 10.920 -12.132 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -5.209 2.197 -7.957 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 4.593 -14.749 5.310 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -9.446 15.412 -11.234 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 0.471 2.654 -4.535 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -10.765 2.718 -3.934 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 13.409 3.921 -4.676 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 3.120 -2.117 -3.234 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -4.523 -2.062 5.099 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -6.245 0.397 6.744 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 1.656 3.157 5.598 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 10.527 -7.450 2.913 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 -12.762 -8.843 3.129 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 0.600 4.527 -0.682 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 9.677 3.915 4.336 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 6.535 10.130 -24.993 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 5.242 -1.916 -5.619 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 15.495 -6.235 -13.459 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -6.482 -4.836 -13.815 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 3.246 0.136 -1.911 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 0.850 -1.744 -4.249 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 12.017 -0.065 -7.998 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 1.989 0.216 -3.321 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 0.030 9.168 -2.578 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 7.398 -0.073 -19.465 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 6.902 -2.024 1.002 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 -2.510 11.182 -14.104 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 21.790 -16.064 21.079 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 0.768 1.915 4.906 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 -5.169 -4.437 -6.025 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -21.623 -13.863 -15.077 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 -2.403 3.050 -1.198 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -5.783 0.119 -9.302 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -32.836 -8.882 -12.933 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -3.142 -8.280 10.487 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 4.640 9.657 -9.009 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 3.937 -2.646 4.887 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 -0.774 6.369 -9.727 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 5.688 -0.389 -9.045 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 13.266 8.817 -2.365 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 -1.363 3.089 0.480 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 1.702 11.531 6.747 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -0.813 5.252 -12.345 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -2.545 1.910 2.633 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 4.116 -2.888 -3.328 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 -3.684 13.309 -9.474 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 -3.151 -7.582 2.191 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 -16.130 -21.786 7.662 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -15.205 -10.824 7.060 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 4.758 5.159 -0.959 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -23.081 14.053 -11.512 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -17.103 0.996 -11.243 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 4.337 -3.209 -0.249 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -2.214 2.158 -12.376 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 2.967 -1.231 -3.581 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 -3.803 0.868 -4.749 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 -12.173 -5.105 2.867 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 -7.943 -0.797 -3.483 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 -6.850 1.317 3.000 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 -5.334 -1.961 -0.701 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 1.563 6.551 -9.398 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -0.797 1.761 6.130 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -6.386 -17.910 -3.924 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 7.392 -14.134 1.056 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -4.201 2.171 2.842 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 -7.163 -1.328 -7.182 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 -14.289 -4.212 9.968 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 -5.685 -0.114 7.513 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 10.801 14.783 17.768 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -18.462 3.680 -1.805 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 -1.849 1.803 0.557 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -24.371 -0.760 3.409 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 2.891 -13.530 -11.421 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -7.826 5.246 1.666 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -3.995 -0.027 21.306 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -7.266 10.109 10.973 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -5.233 0.629 0.253 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 4.973 8.545 2.441 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 -26.879 -6.351 1.049 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 0.342 2.995 -5.185 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 9.707 -21.991 -9.087 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 -8.514 -3.040 12.887 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 6.066 2.200 0.658 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 3.666 -2.758 -1.423 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 3.143 -9.167 -3.590 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 0.347 -9.970 4.831 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 3.424 -14.249 9.438 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 -21.285 18.049 -25.475 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 5.791 -2.552 -1.445 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -0.726 -20.337 -0.941 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -6.260 -21.446 0.874 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 0.909 1.647 -2.313 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -6.662 -1.368 3.383 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 39.293 2.048 -17.506 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 -3.511 0.322 0.848 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -24.615 -18.829 2.562 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 7.936 12.156 1.164 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 8.051 0.277 7.618 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -8.428 -7.184 -28.084 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 3.787 -11.294 -12.047 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 2.469 7.602 -3.821 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -5.591 33.428 -7.115 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 8.312 0.465 26.367 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -0.023 3.528 5.294 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 10.812 19.585 -3.329 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 7.517 14.624 -7.371 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 0.407 3.665 -2.661 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -2.806 4.542 -2.063 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 -1.575 8.777 -1.102 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 -3.279 -3.282 -1.250 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 2.213 1.253 8.274 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 2.291 -16.327 -2.751 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 0.894 4.000 -8.197 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 -1.297 6.954 -1.549 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 4.565 6.352 10.775 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 2.876 2.696 8.153 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 11.590 5.287 -6.229 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 4.237 6.669 7.346 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 3.800 -3.604 -0.784 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 15.140 -7.800 -5.295 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 1.367 -3.351 -8.097 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 5.715 -6.204 -2.552 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 1.589 -17.522 7.271 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 8.794 -8.885 1.809 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 5.857 -2.304 6.889 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 5.856 1.353 2.452 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 -6.685 -13.472 -8.114 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -1.164 3.941 4.656 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 0.475 23.027 8.496 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 6.934 1.307 -17.491 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -5.176 -4.143 5.371 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 -25.130 -23.131 0.707 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 -5.120 -6.186 -2.076 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -5.320 6.791 1.307 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 5.042 16.678 -6.295 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 0.705 -8.315 -1.901 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 2.680 5.428 4.732 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 -2.714 12.603 -20.925 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 10.601 2.919 17.416 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -0.505 2.577 0.148 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 -2.614 2.993 -13.671 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 2.190 -8.850 1.701 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 1.055 -4.575 -2.678 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 10.796 8.128 -1.239 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 3.688 -7.933 24.464 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 -3.332 -6.963 1.981 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 -3.227 -23.910 2.911 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 13.252 -0.691 7.323 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -2.745 -2.353 -1.183 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 -12.264 -19.410 6.471 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 -2.752 -6.855 19.559 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 -4.602 -7.003 7.057 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 -12.832 1.857 19.358 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 4.112 11.562 18.439 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 5.543 3.244 0.232 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 -12.154 12.717 -1.666 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 15.689 17.185 -3.620 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 -4.299 4.551 2.042 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -11.643 -1.105 -11.123 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 -2.012 10.500 -3.953 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 2.363 -1.142 -3.527 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 2.241 -13.236 15.245 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 -18.237 9.212 -8.370 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 9.955 -2.885 0.536 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 15.186 4.533 4.026 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 13.138 -35.192 -0.624 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -3.027 2.560 6.738 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 -5.843 27.803 -16.899 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 7.715 0.055 -16.263 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -1.988 -3.348 -2.354 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 -3.576 11.166 -4.907 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 16.011 -2.889 -8.891 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 -0.602 -1.045 -3.283 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -4.533 24.662 -19.729 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -13.766 -10.947 10.265 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 -1.563 1.822 -8.810 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 24.516 -11.534 -18.356 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 6.779 -1.890 -12.675 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 -2.021 -9.169 -1.396 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 26.543 26.148 -23.203 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 15.782 -10.201 6.896 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -2.463 -3.514 0.880 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 13.457 -8.817 2.295 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 -5.439 -3.750 -5.770 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 4.661 2.903 -3.293 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 -3.862 16.399 3.587 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 19.733 3.797 -30.432 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 -0.220 5.035 -4.786 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 -7.253 10.735 8.454 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 -6.561 15.219 35.820 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 2.923 4.138 2.327 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 -3.942 -4.576 -7.632 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 2.088 -1.346 15.065 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 5.281 0.421 3.384 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 45.360 7.785 -20.143 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 5.400 -11.631 -37.913 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 0.122 -0.186 -4.163 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 1.120 6.224 -4.967 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 5.609 -3.006 -5.544 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 3.066 -9.166 1.656 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 14.876 -2.879 1.582 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 10.262 -9.791 18.441 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 9.070 -3.318 5.448 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 24.170 12.057 10.097 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -20.457 3.003 0.983 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 -6.229 -3.675 -0.659 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -18.249 40.450 14.670 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 -16.440 4.093 -0.023 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -4.282 -2.908 3.610 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -12.274 2.701 3.358 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 -37.813 2.633 37.163 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 6.807 0.938 0.019 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -2.109 9.933 -15.198 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 28.114 11.198 1.932 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 -6.322 0.048 4.143 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 -12.937 -11.744 17.780 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -19.695 21.281 -1.675 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -4.094 -2.987 -0.968 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -18.245 10.980 -17.346 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 -2.484 -1.935 4.005 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 -0.342 -5.501 -4.553 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 0.234 -5.587 -9.442 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 22.034 -2.390 -18.803 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -3.051 0.288 -3.874 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -1.074 -4.324 -15.571 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 6.175 -2.989 2.067 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 2.548 0.183 -6.119 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 14.328 21.174 -3.093 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 -3.368 12.123 -10.780 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 4.015 -2.067 6.837 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 2.839 7.231 -5.734 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -4.181 9.006 -8.486 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 1.066 0.870 5.007 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 -30.584 14.886 2.830 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 5.892 8.981 27.074 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 -0.347 1.939 -4.836 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 2.457 -3.053 5.518 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -7.157 9.598 -3.109 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 0.221 -4.742 5.964 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 18.935 -15.853 -12.792 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -10.297 7.302 14.438 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -3.984 0.288 -2.677 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 6.789 -15.895 -16.153 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -7.056 -7.287 -19.422 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 3.609 4.580 0.915 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 -17.847 -14.587 -16.931 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 -8.049 7.938 27.054 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 0.704 -8.034 -0.077 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 1.498 10.549 -6.078 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 21.541 -13.354 -10.618 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 -2.439 5.974 -2.729 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 7.408 27.194 19.878 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 -1.167 -18.264 13.782 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -1.931 -1.408 -4.164 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 5.331 -5.620 6.765 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 -2.889 -9.736 -17.946 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -1.288 -0.637 0.995 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 14.846 -5.794 -2.745 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -4.007 -1.790 -11.833 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 2.318 -5.019 1.723 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 -9.142 -19.963 -23.045 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 -9.699 -9.412 -8.837 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 -3.486 2.371 4.476 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 12.131 -3.093 -13.626 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 4.894 4.076 -13.572 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 -0.868 2.596 -1.547 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -2.489 -5.904 0.261 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 1.063 3.169 -2.594 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -6.529 -4.021 -3.686 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -5.993 -6.749 0.584 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 -7.378 -8.536 -0.613 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -4.793 0.619 2.911 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -7.185 -10.846 4.615 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 5.636 1.111 -8.085 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 2.916 -2.684 -3.523 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 10.906 25.964 -1.327 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 2.698 2.972 -0.783 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 3.235 0.794 -0.366 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -10.775 11.674 -9.883 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 10.737 0.945 -10.027 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 -0.207 3.923 -0.065 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 9.374 -6.398 23.978 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -3.670 11.012 5.810 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 1.887 0.367 3.728 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 5.527 -0.562 -14.230 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 -0.164 -1.549 11.668 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 0.739 -2.320 -0.269 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -10.564 -13.151 10.869 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 -1.443 -25.274 5.274 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 -1.971 6.680 -0.555 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 -14.024 -17.851 10.884 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 1.107 6.581 1.237 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 -4.445 -1.685 -1.556 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -0.156 22.448 28.901 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -4.607 29.482 31.544 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -1.252 -2.988 0.322 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 -9.418 -28.959 -1.765 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 23.648 -9.236 -0.131 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 1.085 -2.975 -0.659 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 4.191 2.499 5.407 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 7.301 -14.041 9.550 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -0.765 3.136 -3.603 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 2.576 -1.357 -2.043 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 -6.587 3.845 10.293 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -1.769 6.468 5.817 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -8.961 -4.727 -14.159 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 -15.913 -7.784 -4.690 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 2.651 0.238 -1.950 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 9.279 -0.422 5.027 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 -4.482 5.573 -7.709 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 1.202 -4.586 4.843 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -10.028 -13.119 6.025 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -2.497 -2.191 11.003 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 2.154 -6.150 -6.395 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 -1.375 0.921 -3.056 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -3.302 -1.522 -1.064 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 6.387 0.110 0.977 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 -1.643 -23.234 14.753 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 -9.222 2.309 -19.088 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 8.129 0.420 10.947 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 1.597 8.879 21.925 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -3.595 -10.322 -6.568 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 0.473 10.765 5.139 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 7.976 3.132 1.343 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 6.009 22.559 8.416 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 3.814 2.351 3.283 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 19.923 -10.902 -9.183 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 13.961 13.339 12.616 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -2.897 0.349 -2.964 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 5.694 -2.461 15.168 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 -7.209 -1.477 3.913 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 3.357 1.165 -1.203 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 17.190 32.747 19.838 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 -23.865 18.325 -33.049 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 -1.755 1.295 -4.104 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -9.435 -6.668 2.593 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 27.709 22.891 -21.192 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 10.737 2.502 7.272 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -22.393 3.467 11.573 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 -14.685 1.291 -2.346 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 -5.299 0.319 -3.749 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -10.978 22.197 9.017 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 14.924 23.993 20.529 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 -0.339 -0.617 -2.982 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 -7.153 4.816 17.024 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 -8.198 11.663 8.604 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -4.282 -4.093 -6.345 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -7.651 1.413 -12.467 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -8.053 1.101 -12.651 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -4.314 -5.072 -2.405 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 -6.976 -5.231 -0.748 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -1.670 -5.915 -3.078 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 1.885 -3.377 -3.232 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 8.917 -13.136 -0.366 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 14.333 -20.916 26.803 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 0.207 3.260 3.407 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 25.621 0.010 -18.440 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -4.691 1.856 -17.868 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 -4.641 2.398 -8.803 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -0.455 -5.700 -22.361 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 -8.167 -0.317 15.763 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 -0.718 -2.152 0.536 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 12.364 -9.522 5.656 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -14.983 -15.603 -4.406 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 -4.125 5.682 -1.542 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -3.686 1.385 -2.573 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -4.015 16.245 -0.832 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 2.825 -1.650 -3.323 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 -9.964 25.362 4.300 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 14.625 3.538 4.933 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 1.433 -8.066 -0.275 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 16.130 5.698 -12.740 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 12.979 -0.739 1.304 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 1.142 -3.480 -7.327 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 -4.046 -5.515 -1.041 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 3.043 -3.977 -12.304 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 4.118 -2.452 -0.938 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 29.342 -8.971 5.025 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 8.933 14.990 -17.935 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -2.304 -4.815 3.880 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 0.079 -6.662 -23.421 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -5.405 2.476 4.532 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -1.676 1.995 -2.057 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -8.569 5.690 13.551 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -1.815 -1.501 6.262 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 2.327 2.222 1.150 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 5.805 -6.930 -11.946 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 -9.758 4.881 -7.133 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -0.862 2.552 11.153 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -9.968 -18.983 -13.146 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -21.512 31.024 4.653 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 5.008 -6.811 -0.955 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 10.977 10.240 23.174 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 6.829 -6.475 -8.808 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 5.240 -6.237 -6.022 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 -2.643 -4.770 1.188 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 18.188 1.417 -8.842 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 -2.114 9.846 5.539 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 -14.048 -11.746 10.873 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 7.756 29.304 -2.294 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 0.280 -11.066 -0.801 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 0.792 -16.795 8.497 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 0.665 -3.532 5.275 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 2.850 2.832 1.316 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -20.486 12.354 5.209 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -3.736 -1.138 6.057 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 4.885 -0.647 2.456 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -5.287 -10.808 1.381 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 18.689 -13.950 17.615 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 4.845 2.724 1.015 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 10.666 -6.464 17.241 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -14.369 -1.257 0.476 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 1.865 -1.246 -4.450 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 11.176 -8.776 -12.266 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 -3.366 3.499 -5.937 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -3.820 6.243 -3.633 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 29.636 -6.647 14.326 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 4.698 5.755 -9.529 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 -0.024 4.152 -0.075 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 3.424 -8.839 1.921 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 0.159 17.502 -7.855 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 7.242 -3.840 3.418 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 9.044 -12.425 -2.235 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 -11.115 6.294 -8.907 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 1.192 -0.923 -5.501 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 19.792 -15.476 -2.070 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 -26.080 1.806 9.838 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 0.052 5.850 -9.706 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 10.903 20.200 20.865 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -19.872 -20.704 -13.316 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 -0.347 0.546 1.624 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -7.672 -10.022 0.267 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -2.519 12.271 -2.316 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 0.588 -4.639 -1.218 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -3.299 -0.185 -3.588 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 1.388 -2.412 7.661 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -0.947 -2.043 8.530 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 2.484 5.930 10.315 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 -6.920 -2.883 9.318 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 0.431 1.923 1.601 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 1.116 -21.301 16.323 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -17.195 -5.217 10.030 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 0.533 3.126 -2.254 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 12.908 5.912 -4.010 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -21.423 -15.308 11.472 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 9.133 -1.276 2.086 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 7.244 -2.155 11.935 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 -6.419 -5.548 5.111 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 4.385 2.067 1.723 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 10.131 -5.575 -7.696 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 5.031 4.206 -0.526 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -1.934 3.034 -7.164 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 4.079 -9.249 7.815 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 -7.634 2.837 -3.862 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 3.565 -0.891 0.491 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 24.161 -29.321 -11.156 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 14.074 -9.908 -23.328 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 -0.706 1.319 5.398 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -3.503 0.295 3.077 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 -15.655 10.669 9.921 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -1.066 -1.180 0.424 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 -2.482 -14.307 15.001 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 -17.191 11.966 -1.271 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -2.596 -4.406 0.895 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -10.230 -11.530 3.582 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 16.275 -6.613 -0.792 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -0.317 -0.516 2.191 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 7.067 13.456 -9.412 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 -5.354 6.499 19.207 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 -1.617 4.687 1.101 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 4.875 -18.790 -1.808 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 -20.156 10.188 -20.586 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -5.177 0.186 -1.255 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 -25.613 -13.580 14.365 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 3.034 -9.489 -6.256 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -2.406 0.262 -1.307 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -1.895 1.104 -1.586 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 12.497 4.938 -9.529 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 -1.270 5.476 5.139 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 -8.867 5.142 1.690 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -7.759 9.855 4.152 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -0.490 0.519 6.293 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 2.177 -4.222 1.779 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -15.170 8.580 6.440 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 0.005 -3.129 -0.570 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 12.779 2.930 -10.370 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 16.650 -7.420 -8.945 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 1.194 2.468 -2.747 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 -0.329 10.610 6.747 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 -1.230 -10.656 0.704 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 5.284 -7.623 -4.544 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 0.477 6.843 -2.461 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -4.387 -10.785 -12.801 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 7.172 -0.371 -4.432 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 1.903 -16.405 9.225 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 14.886 -7.939 24.275 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 4.721 -1.952 1.853 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 2.206 2.753 13.768 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 1.113 -24.619 -12.126 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -3.255 -1.507 -0.634 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 -2.320 -18.153 -12.810 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 -20.924 3.072 13.750 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -1.496 0.466 2.877 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -1.430 25.697 -9.425 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 -11.036 11.380 -5.381 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -6.467 0.707 -1.384 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 5.267 1.667 -15.062 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 8.522 1.958 18.651 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 -4.633 -1.089 8.613 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 2.226 11.084 8.378 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 -22.828 -4.542 7.537 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 5.646 -1.063 0.467 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -5.994 -7.375 19.549 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 -7.531 -2.661 -12.989 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 7.297 -3.711 5.127 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 3.347 -0.715 9.856 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 15.576 -12.061 11.134 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 -2.946 -3.108 -1.448 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 7.955 -7.116 -0.858 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 -4.616 -1.676 -11.905 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 -0.266 7.925 -0.688 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 -3.349 4.043 -3.435 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 2.607 6.019 1.645 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 4.788 2.708 -2.496 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 -25.157 6.828 14.359 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 -9.174 1.929 20.573 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 3.953 7.022 -5.148 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 14.531 -2.754 13.734 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 -9.233 18.061 -18.296 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 0.993 6.219 2.773 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -1.394 -42.135 9.530 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 1.121 -10.717 6.625 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 0.257 8.562 -0.628 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 -2.652 10.173 -3.305 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -15.751 0.361 -9.023 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -2.818 2.144 -2.853 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 -1.757 7.497 -12.285 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -6.445 -6.439 -6.407 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 9.240 -2.156 2.363 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 16.235 -8.671 12.169 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 -9.803 12.816 -2.743 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 5.986 2.046 2.731 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 11.476 -11.591 -6.383 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -9.371 4.328 0.875 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -1.231 -2.004 -2.851 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 1.864 5.944 4.455 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 0.567 9.913 -4.955 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 4.016 0.077 4.911 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 1.617 -5.746 -6.547 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 12.083 -1.263 1.434 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 -3.763 -2.866 2.130 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 0.997 -19.002 -28.981 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 27.813 -7.792 13.184 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 5.127 -0.038 -5.484 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 0.984 -10.121 10.170 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 8.886 4.441 -40.814 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 1.497 -2.103 5.923 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -2.655 6.732 -28.663 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 8.872 7.323 31.534 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -2.000 1.240 -4.310 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 4.135 -0.741 -5.688 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 -5.492 3.206 -2.746 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 -0.349 -2.874 -5.923 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 11.986 -15.696 0.830 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 8.974 7.931 25.748 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 5.099 1.210 -1.199 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -18.334 20.514 1.449 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 2.356 22.998 -5.886 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 4.371 1.549 1.443 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 10.511 12.317 -21.858 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 12.623 -5.729 -13.152 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 5.439 -4.216 0.245 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 11.783 15.390 2.969 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 -3.043 -13.721 18.687 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -0.879 -3.051 -4.795 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -1.593 -1.509 -0.928 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -7.267 -7.545 32.529 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 3.866 2.091 -3.287 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -2.005 -4.387 -9.243 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 8.535 9.293 -0.798 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -3.116 -3.338 2.207 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 12.587 -20.662 6.534 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 -21.207 -7.249 17.721 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -0.872 0.121 -3.303 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 7.459 4.188 -8.329 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -8.007 6.678 -16.567 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 0.118 0.599 -6.940 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -7.781 5.145 -7.138 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -0.100 2.241 -7.067 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 4.325 -3.641 1.838 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 -9.674 29.738 2.655 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 -20.436 -14.941 -6.819 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 0.768 -5.023 2.892 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -0.490 -7.602 -11.237 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 3.389 -1.325 -10.891 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -4.285 -1.571 0.951 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 -16.505 -4.622 5.251 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 -6.447 6.532 -6.437 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -1.628 0.230 0.088 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 10.452 -24.141 4.746 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 -15.499 2.651 17.679 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 0.026 -0.604 0.976 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 -12.934 -4.364 -1.494 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 7.573 9.951 -1.954 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 1.770 4.091 1.500 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 11.568 7.741 -0.866 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 7.047 6.273 -0.221 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 -1.410 2.046 -6.543 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 0.340 4.721 -0.073 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 -15.075 14.772 1.404 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 4.340 3.947 2.752 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 12.618 13.111 -7.069 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 12.729 9.699 20.499 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 5.380 -1.877 5.357 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 3.818 -14.634 24.150 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 -26.902 -11.632 -0.638 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 1.205 4.692 8.661 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 3.385 15.116 10.174 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 7.599 -0.048 14.682 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 1.904 2.189 -2.998 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 5.692 1.015 1.065 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -9.034 1.614 -19.712 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 1.535 -0.524 -1.259 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 6.025 8.407 7.944 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -6.552 -2.750 1.301 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 2.461 1.906 1.940 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 2.993 -0.227 -5.807 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 0.011 -13.761 11.331 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -1.813 -2.354 1.695 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 -18.986 -14.755 1.779 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 9.278 23.600 -9.215 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 1.229 2.553 -0.743 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 23.503 -16.140 10.318 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 11.108 -2.167 3.628 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 -4.595 0.407 -1.982 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -3.800 -1.682 -1.413 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 -4.826 17.510 -3.716 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -0.596 2.232 1.269 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 46.070 24.798 -5.175 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -18.993 -52.522 2.456 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 4.196 -1.851 -5.331 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 6.945 1.747 0.090 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 17.356 15.105 18.133 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -4.798 0.727 2.406 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -10.898 -9.737 -7.320 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -13.993 -3.063 4.308 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 0.399 -1.080 4.707 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -5.916 -14.678 10.864 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 -7.038 -27.585 13.093 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 14.041 -3.899 2.234 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 15.854 -3.184 4.361 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 16.203 -8.446 -4.648 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 -4.162 2.866 -5.150 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 -6.731 -8.550 -12.539 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 -7.139 10.322 -3.356 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 0.764 5.188 0.398 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 -1.906 1.873 -2.051 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 -12.935 -0.979 -10.436 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -3.898 -4.698 -1.950 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 11.348 3.127 -13.493 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 4.865 1.653 -11.183 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -4.140 -4.876 0.690 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 -9.464 -37.270 -16.045 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 0.948 -0.174 5.708 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 -3.412 0.936 -3.474 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -2.804 -0.492 -2.480 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 -2.623 4.731 -1.349 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 1.006 6.607 -8.342 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 -2.943 2.402 -21.355 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 6.838 10.317 13.633 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -6.454 -1.616 2.045 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 17.061 -1.835 -2.894 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 -14.365 -22.513 -10.313 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 3.446 -4.615 1.118 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 2.703 -19.189 0.931 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 0.623 4.921 -27.942 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 -1.713 2.455 1.842 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 24.152 -37.007 -1.006 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 13.115 -8.119 -18.634 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -1.033 0.597 -0.412 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 2.533 10.201 21.739 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -18.453 2.708 -5.289 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 0.508 -4.115 2.128 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 0.489 3.828 8.777 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 -13.217 -32.100 8.806 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 5.823 5.404 3.395 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 -18.244 14.265 -13.849 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 16.524 16.287 -16.891 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 -5.554 -0.501 -1.190 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 21.786 -20.220 -3.692 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 7.126 10.542 -4.699 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 -0.317 0.604 4.501 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 2.172 3.108 -5.816 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 -6.087 -3.737 6.606 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 1.608 2.494 0.194 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 3.330 -5.409 15.828 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 11.714 7.376 -27.716 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 3.777 5.150 3.704 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 7.371 12.090 1.963 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 3.398 25.435 -10.878 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 -13.734 -0.707 2.806 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 -4.984 17.868 -0.443 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 -2.583 1.065 14.594 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 -6.530 4.612 -3.657 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -9.548 -4.636 -15.442 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 -11.067 -4.283 -1.313 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 2.312 0.333 4.651 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 9.801 6.173 9.726 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -2.966 5.515 6.797 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 0.971 -1.549 -1.631 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 -9.086 19.890 2.865 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 -14.160 -1.353 0.600 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 2.463 -2.207 0.262 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 -3.928 1.713 12.323 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -21.134 12.090 -7.333 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -3.999 2.224 2.582 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 4.786 19.920 23.053 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 -1.732 6.958 5.270 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 3.606 -5.922 1.936 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 8.222 -4.034 -3.939 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 4.960 0.097 7.751 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 -1.704 -3.798 -4.867 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 -5.321 27.435 -7.001 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 -16.652 -0.738 -8.839 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -2.819 -1.588 -3.088 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 8.427 16.110 -28.142 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 11.656 -32.098 6.074 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 0.884 -5.059 0.429 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 -35.681 -9.375 -16.258 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 -14.176 -4.119 -5.805 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 6.445 2.929 -1.221 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 -8.284 22.209 2.114 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 3.196 -12.368 18.029 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 -5.942 1.125 -2.570 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -3.225 2.002 -2.784 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 -8.051 20.625 -9.963 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 -2.360 -5.194 4.494 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 -9.905 -3.804 8.535 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 16.761 22.893 1.387 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 -4.055 -1.099 3.949 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -5.581 3.199 10.013 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 -1.817 -14.327 5.990 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 0.276 -5.498 -3.577 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 -2.797 -0.031 10.293 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 -4.725 10.341 2.208 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 -0.678 -5.180 3.062 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 7.587 -0.903 11.811 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -12.336 11.808 10.903 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 -1.062 5.018 0.148 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 -5.382 9.225 2.087 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -6.343 -2.814 -0.625 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 -3.750 1.748 -5.112 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -24.059 -7.169 1.457 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 7.418 19.126 -1.935 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -3.915 -0.592 8.693 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 -1.485 -2.106 2.755 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 10.260 -6.805 19.132 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 -2.085 0.541 -0.306 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -4.244 -8.984 1.835 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 5.261 -1.319 1.846 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 2.477 -0.329 -8.659 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 11.436 14.132 18.118 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -22.757 -13.075 -33.052 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 3.011 0.484 -2.742 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 6.537 0.092 -11.507 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 15.874 -6.777 4.590 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -5.877 3.169 2.337 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 0.753 9.666 -2.899 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -2.054 19.583 -11.577 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 0.967 -3.574 5.794 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 7.374 13.998 -1.998 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 2.989 -8.466 23.383 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 1.212 -1.107 4.887 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 -16.359 13.568 -2.018 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 26.140 10.392 21.989 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 0.256 1.338 -0.002 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 13.700 -3.241 -10.838 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 7.249 9.965 -0.631 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 -4.650 -6.301 5.759 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -2.482 3.046 -2.893 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -18.785 -18.426 14.153 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 -4.594 1.620 -4.328 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -18.237 -20.060 -11.615 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 -23.614 6.907 -5.237 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 0.933 2.860 1.718 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 17.426 -17.271 6.716 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 0.286 4.259 0.891 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 -3.710 2.578 6.969 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 9.758 -20.698 12.549 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 7.186 23.135 1.931 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 -2.844 -10.831 0.709 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 6.931 5.626 10.117 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -11.590 -32.952 -2.807 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 0.743 0.887 0.847 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 -0.100 -0.986 -1.464 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 -3.195 -2.630 7.617 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 -2.849 -2.833 -1.838 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 1.758 3.144 -16.472 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -4.733 -5.867 4.959 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -4.693 -6.081 -4.971 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 -19.560 9.715 3.004 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 8.402 -19.454 24.943 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -0.005 0.965 1.266 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 7.871 -1.605 10.850 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -3.246 11.981 3.131 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 -2.450 6.333 8.310 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 -7.670 -5.180 3.425 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 -15.296 -25.142 -13.118 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 1.887 -4.695 -5.188 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 10.773 10.277 9.680 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -6.465 15.686 -4.434 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 -2.941 -0.261 -2.699 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 0.511 26.112 24.375 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 -15.954 -24.531 -33.702 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 -1.074 2.812 2.631 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 -11.657 -4.151 13.459 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 3.328 11.931 -25.084 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -1.795 1.828 -1.500 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -3.754 5.686 -10.852 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 8.982 1.455 -0.327 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 -2.088 10.644 1.784 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 -6.056 18.903 0.139 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 -3.373 14.458 1.083 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -4.777 -3.753 -8.882 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 5.698 3.328 -3.916 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 7.046 -2.374 -3.279 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 -2.297 5.306 4.632 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 2.645 13.561 16.331 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 5.952 -0.626 -13.934 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 1.359 4.373 -2.092 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 4.327 -3.705 -0.972 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 0.458 8.670 -14.666 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 3.549 5.398 -0.450 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 10.831 11.584 18.589 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 -7.778 -5.702 -8.562 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -2.901 -2.221 1.871 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 -35.948 -18.107 15.995 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -6.288 -2.563 -1.902 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 1.402 -2.145 0.171 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 1.347 -0.027 -4.663 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 -2.204 1.911 3.191 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -6.014 1.229 6.649 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 4.469 -3.514 8.716 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -10.809 3.524 1.902 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 -1.668 2.688 2.499 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 -4.617 -2.874 3.891 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 1.362 8.659 1.194 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 -12.642 1.065 -1.684 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 -12.278 12.514 1.728 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -17.042 1.304 1.497 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -1.802 5.190 -3.950 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 15.269 16.172 9.125 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 -13.780 -6.568 -7.438 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -1.092 2.478 0.517 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 3.918 -5.852 3.269 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 11.458 11.153 -0.483 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 5.990 1.901 4.253 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 9.079 -1.476 11.590 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 18.994 5.182 18.279 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 0.755 -5.074 -4.732 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 9.706 15.236 -17.602 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -4.645 -17.850 4.097 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 -0.021 1.649 0.297 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -2.887 5.591 -5.649 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 -2.972 6.466 7.673 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 1.075 -5.755 1.404 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 4.498 -14.671 15.747 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 -1.142 3.263 -0.271 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 0.373 2.243 -4.799 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 -24.916 -9.220 5.391 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -3.619 5.189 2.812 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 -6.432 0.446 -0.092 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 11.124 7.583 -2.710 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -15.688 14.545 -2.553 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 -9.626 -5.454 1.009 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 -5.814 -21.635 13.000 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 -3.884 -26.748 18.205 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -0.277 -1.843 0.210 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 12.610 -4.888 2.247 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 9.735 -12.511 -1.501 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 4.232 1.699 -8.568 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 3.482 -2.651 10.824 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 2.749 -10.398 20.551 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 2.645 5.780 3.363 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 14.114 16.061 8.731 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 5.656 17.396 7.636 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 10.819 -2.683 -1.363 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 16.122 -6.777 -4.744 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -9.386 2.287 -17.908 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -6.422 -4.409 0.808 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 4.452 -18.850 11.634 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 -13.161 1.860 0.418 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -0.065 3.485 6.733 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 6.638 5.374 15.706 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -1.037 1.842 4.696 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 -4.151 -0.666 5.081 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 0.597 -16.196 -12.861 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 -6.130 4.536 5.356 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 -3.583 -4.976 4.236 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 -19.601 2.533 -14.036 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 1.392 -12.638 3.726 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 -5.488 -6.360 4.508 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 -11.182 -21.712 9.972 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 -3.975 -35.341 6.697 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 1.681 -1.907 -5.440 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 -13.179 -10.987 -7.961 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 24.087 8.689 -1.826 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -0.117 2.343 -7.091 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 3.597 -7.357 8.497 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 4.247 -9.770 11.704 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -0.012 -2.964 2.929 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 13.074 -1.386 17.235 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 24.813 -6.782 -5.869 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 1.707 1.536 -8.548 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 7.053 -6.132 -13.557 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -4.333 6.148 -25.787 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 -1.095 2.744 1.095 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 7.626 -9.800 -10.651 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 22.324 6.753 3.229 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 5.073 -2.749 -2.884 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 5.142 12.352 8.589 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 3.216 -1.679 -5.422 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 0.517 4.294 2.339 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -18.536 17.546 3.723 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -9.650 -15.045 -2.901 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 0.760 -5.184 7.343 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 25.271 1.503 -5.688 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 14.456 -0.191 -1.161 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 -2.708 -2.065 -0.676 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -10.170 5.456 14.149 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 1.297 15.777 -10.230 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -0.068 -1.272 -0.161 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -11.681 10.318 -10.608 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -6.468 12.005 -13.589 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -2.597 -3.496 -2.067 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 10.618 1.518 -5.441 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -4.519 0.806 -16.008 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 -2.551 -5.752 -5.844 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -3.768 -27.711 5.754 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 1.025 6.197 1.187 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 -4.118 5.246 -2.151 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 -2.944 15.677 1.747 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 -6.798 -1.961 1.064 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 0.018 -8.021 2.326 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 -3.744 2.377 8.139 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 10.000 17.042 -17.629 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 1.369 7.652 -6.538 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 21.150 -29.318 -2.622 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 -3.801 30.861 10.972 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -3.401 -0.078 -8.981 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 8.728 -20.422 -5.957 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -14.171 -4.705 -27.512 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 4.303 6.954 -3.208 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -14.914 -1.096 -4.823 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -7.615 -1.014 -7.977 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 -1.807 -3.091 -1.533 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 4.933 6.000 -7.641 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 38.291 5.195 6.173 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 1.684 1.306 2.465 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 10.636 -11.995 -5.634 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -1.249 -10.511 -0.134 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 2.100 5.771 -1.979 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -16.514 5.719 6.423 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 15.567 5.977 -8.377 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 -0.184 -3.747 4.612 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 -6.387 -14.890 6.949 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 14.177 -7.649 -0.010 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 1.008 -2.717 -0.126 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 4.199 6.210 -19.798 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 7.807 22.864 -25.445 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 -2.294 -2.492 2.951 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 2.079 -0.094 12.823 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 -18.038 -14.317 -16.672 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 0.796 5.337 -5.359 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -11.260 7.058 -3.075 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -12.563 0.553 -17.053 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 -1.752 2.176 4.370 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 2.367 21.151 7.540 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 -12.155 -6.550 -11.123 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 3.249 2.008 -1.945 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 -16.812 -17.512 7.746 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 -18.131 -19.065 10.662 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -1.345 -6.733 6.038 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 15.349 -30.669 10.175 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 15.686 9.677 -10.206 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -3.716 2.152 3.210 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 17.867 6.211 -2.961 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -13.380 1.930 18.881 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -3.865 3.010 -5.005 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 21.383 1.317 -5.249 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 2.591 29.418 -11.579 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 -6.063 0.330 4.256 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 32.759 7.677 17.351 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 4.623 -15.986 -9.093 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 -3.412 0.913 -0.742 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -3.555 -0.722 -5.568 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 2.609 6.144 1.022 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 3.802 1.389 -13.963 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 0.856 4.377 -31.633 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 9.829 -13.315 -14.325 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 -1.484 -0.399 -3.529 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -15.429 -0.888 4.656 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 -5.393 0.548 21.461 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 -5.211 2.412 -2.386 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -5.929 4.096 10.440 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -5.207 6.786 5.103 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 1.534 3.353 -0.976 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 3.395 14.352 -9.869 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 -22.098 -33.802 9.082 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 0.121 3.201 -5.130 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -5.020 -7.319 9.606 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 10.076 10.911 -0.058 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 5.158 -6.635 9.827 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 1.266 -3.675 5.247 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 11.248 0.196 6.634 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 1.791 1.302 -7.950 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -4.689 -0.806 4.703 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 1.396 -37.389 1.950 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 1.229 0.159 -1.023 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -10.165 9.954 -2.250 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 8.006 19.826 -9.329 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 4.793 -0.482 0.656 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 16.426 14.091 4.092 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 -2.337 -8.194 -17.538 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -0.103 4.664 0.420 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 11.597 25.989 -0.339 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -4.845 -3.557 -7.725 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -8.335 0.881 -2.268 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 2.555 -23.787 0.299 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -11.045 14.134 0.744 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 1.515 8.529 2.641 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 1.667 0.589 2.838 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 1.833 -2.369 2.331 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 -1.709 -1.533 0.942 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 -3.280 15.813 -0.127 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -3.189 2.224 10.407 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 0.508 -4.837 -2.270 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -0.514 13.848 -14.047 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 0.580 -6.579 12.675 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 0.291 -7.389 3.909 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 11.517 -13.585 0.126 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 -7.080 14.357 -9.700 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -2.047 2.734 -0.051 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 -6.412 6.031 -10.986 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 4.141 0.309 3.889 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 2.023 6.524 -3.156 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -17.791 4.401 -4.702 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 0.015 -9.550 -8.024 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 0.075 1.657 -1.330 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 -1.465 1.046 6.897 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 -14.973 7.030 -5.643 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 2.645 0.534 -2.717 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 -3.935 -1.714 8.118 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 10.610 5.894 2.546 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 4.261 1.538 0.901 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -2.840 4.212 -16.182 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 0.080 1.805 -18.273 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 4.605 7.354 0.349 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 -4.112 11.607 -1.971 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 0.605 -12.508 23.543 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -3.284 -0.557 -7.095 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -3.690 -20.917 -23.170 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 7.429 13.869 8.302 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 1.248 5.190 -2.096 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 10.126 -13.465 -2.711 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 12.858 -11.174 -1.261 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 5.357 2.648 5.012 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 9.290 -1.799 10.927 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -8.562 -5.045 -8.723 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 -4.018 3.782 -2.130 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -14.551 2.066 2.139 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 9.983 10.652 4.073 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 1.467 -2.273 -2.275 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 7.116 12.909 -19.999 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 17.341 1.498 -19.527 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -0.607 -1.944 2.826 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -1.107 2.992 12.853 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 -0.588 -6.218 -1.599 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 -1.430 4.117 4.918 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 33.780 9.179 4.047 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 8.116 3.012 3.758 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 3.768 -5.764 3.056 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 -1.632 -12.798 7.523 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 -2.907 -3.388 12.578 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -1.418 -4.288 3.172 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 -6.384 -3.439 -8.024 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 3.924 14.292 13.589 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 -1.784 2.329 2.040 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 -0.869 13.754 -16.462 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 11.409 -15.778 -1.581 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -0.740 -1.059 4.366 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 -2.835 12.483 -7.142 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -23.417 -0.630 -7.785 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 -3.916 3.159 -4.744 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 -10.921 10.449 -11.456 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 0.859 -24.320 10.892 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -2.072 -6.668 0.595 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 10.902 -15.177 -9.413 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -4.154 -21.444 -2.004 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 6.101 -7.516 2.445 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 -30.710 5.743 -23.375 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -15.070 3.854 0.858 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 6.360 3.264 -1.964 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 3.883 8.579 -12.655 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -1.184 14.130 15.091 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -3.522 -5.158 -0.640 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 2.220 -9.292 10.962 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 16.499 1.427 -9.221 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -0.228 1.599 2.891 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 1.954 -3.635 -19.062 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 48.636 -5.507 14.516 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -1.600 1.211 0.806 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 12.902 -21.375 -7.302 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 16.616 0.573 15.012 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 1.946 -7.073 2.297 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 8.526 4.657 14.087 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 12.215 11.269 14.480 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 11.892 5.470 2.964 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 10.579 5.448 4.431 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -6.568 -20.827 -0.203 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 4.843 2.513 -0.696 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 3.608 0.960 1.195 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 4.223 3.446 4.748 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 3.933 -0.909 1.201 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -27.817 -9.048 -9.887 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 -0.929 7.041 11.893 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 0.064 -1.867 4.149 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 -0.121 2.372 21.650 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -16.335 1.056 -0.572 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 10.189 -3.687 0.366 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -24.544 17.171 26.448 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 -17.547 1.296 2.261 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 -5.298 -2.994 2.373 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 -0.604 0.459 5.730 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 -1.714 -8.150 -0.707 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 -1.836 3.525 1.095 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 22.118 16.967 -4.031 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 7.576 -19.522 10.280 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 5.923 7.282 2.187 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 19.804 -6.791 8.068 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 17.435 17.379 -5.385 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -2.708 -2.419 -0.167 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -1.539 -7.214 13.825 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 2.437 12.627 9.208 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 -0.695 -3.618 0.000 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 3.947 -13.403 8.753 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 -6.878 5.309 3.495 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 2.630 -0.748 -3.966 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 -18.199 1.882 -18.808 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 -14.561 14.112 -10.624 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 1.123 1.079 4.005 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -6.249 -0.851 7.348 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 8.799 7.238 3.329 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 6.164 4.522 -0.260 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -0.445 -0.737 -5.411 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -2.640 -3.880 -5.606 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -4.172 -1.835 4.009 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -12.277 -2.851 10.263 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -7.247 -6.677 -2.102 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 0.134 -2.478 -2.399 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -8.439 -9.176 4.463 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 -6.209 -10.351 -0.229 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -2.133 -3.657 -11.271 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 14.479 -6.368 -37.703 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 -22.038 -4.785 15.777 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 3.912 -1.805 6.460 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 13.707 13.038 12.844 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 18.426 -16.404 -9.987 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -0.908 4.284 4.569 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 18.614 18.963 -5.514 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 -12.268 22.795 -6.460 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 0.459 -1.321 5.837 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 0.485 1.994 -9.144 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 12.247 -12.182 8.466 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 2.104 -4.602 -0.136 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 22.216 -0.209 -3.209 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -10.781 19.743 -14.119 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 -2.400 0.088 -5.755 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -2.725 -9.165 8.571 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 12.330 2.675 -15.133 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 2.715 6.645 -1.152 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 -1.989 9.184 -4.593 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 5.529 5.210 1.189 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 4.382 5.858 2.289 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -22.639 11.845 8.431 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 14.224 6.875 5.222 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -3.516 -6.914 -0.875 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -11.234 -30.295 5.868 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 9.717 0.637 6.582 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 -2.038 -2.230 -0.970 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -11.740 4.905 0.263 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 -14.483 1.045 12.339 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 1.591 2.046 1.171 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 1.184 15.251 -4.401 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -14.657 1.310 6.476 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 -4.686 -3.353 3.823 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -7.318 1.844 8.097 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 14.844 -1.532 -15.428 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 1.430 -3.260 3.455 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 14.369 9.746 -8.479 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -17.528 15.148 21.042 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -5.051 2.281 -4.322 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -2.301 -17.025 12.931 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 -0.682 18.496 3.877 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 6.592 -1.627 -0.073 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 -6.816 6.265 -5.569 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 0.140 -31.968 1.578 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 2.938 2.048 5.052 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 9.731 7.398 -5.096 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 4.987 23.815 33.465 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 0.305 2.158 0.285 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 2.606 -4.494 -2.347 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 -11.645 6.884 4.649 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 0.600 -1.042 0.903 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -16.142 -6.143 7.006 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 -4.150 0.057 8.155 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 0.133 6.838 -7.240 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 3.131 0.285 6.425 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -20.202 -22.411 7.210 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 3.717 3.018 2.619 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 -1.007 -1.930 -7.050 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 4.934 11.264 -1.095 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 0.697 -5.775 3.575 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -4.371 -10.593 -6.607 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -8.055 -2.804 5.094 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 3.744 -0.114 -2.315 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 5.772 1.412 0.301 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 5.239 2.272 -0.383 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -3.910 -0.367 -5.396 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 2.536 -3.390 13.581 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -1.036 -3.950 -0.709 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -6.571 -0.810 -1.940 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -2.869 -6.747 -7.070 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -12.157 -4.888 -7.274 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -5.599 4.248 -7.452 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 4.227 7.263 14.192 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 -18.020 0.217 -6.808 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 0.855 7.904 0.553 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 -3.912 1.129 -7.079 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 2.203 7.271 -1.289 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 -4.438 3.674 -0.743 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 0.137 -10.437 7.690 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -6.196 17.023 6.790 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 4.690 0.242 -8.492 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -6.116 2.651 -19.498 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 -6.451 4.660 -20.453 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -2.923 4.055 4.456 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -4.143 3.510 1.177 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -2.852 -3.398 -2.837 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -1.178 -3.048 5.565 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 -10.094 8.262 22.069 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 20.505 -3.337 11.036 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 1.237 2.131 -3.479 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 0.499 3.775 -6.487 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 3.908 -2.534 4.024 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -0.448 1.450 0.926 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 3.831 34.424 -9.395 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -13.985 -7.310 3.094 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 5.291 2.457 0.331 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 7.217 -2.449 5.950 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 7.505 -1.294 -1.639 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -0.313 -0.859 3.857 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 2.230 -4.394 13.227 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 -24.379 23.463 -31.452 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 2.651 -0.092 -0.873 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 -3.643 9.397 16.080 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 -9.720 1.279 3.122 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 0.890 -4.600 2.504 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 1.790 4.379 -13.133 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -25.267 4.369 24.881 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 2.019 6.522 -2.157 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -21.385 7.444 0.236 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -6.819 -2.484 -5.663 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 0.863 -2.802 3.028 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 -21.137 5.842 -3.584 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 -24.283 -1.900 -4.222 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -1.672 -4.737 5.584 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -0.478 2.571 -18.393 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -44.341 -7.847 23.214 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -1.394 6.609 4.624 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 15.691 11.171 -11.263 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 23.527 -3.099 0.069 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 2.075 -0.898 -4.470 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 14.067 5.722 5.444 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 -5.229 3.345 3.002 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 2.947 6.722 -1.155 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 9.682 19.782 6.748 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 -3.083 -2.981 -8.195 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 3.253 -1.063 2.263 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 -12.310 12.418 14.319 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 7.775 -20.999 7.189 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -0.007 3.689 0.416 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -5.500 17.931 9.514 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 -11.898 8.656 -7.418 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -4.935 -5.165 -1.414 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 -4.487 -7.557 14.032 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -14.782 6.865 -2.508 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 -0.710 4.823 -1.727 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 -12.441 13.829 -1.097 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 13.012 -11.156 4.738 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -1.803 4.743 1.508 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 -4.084 1.934 -5.306 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 31.633 10.200 -5.065 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 -7.519 5.632 8.308 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 3.741 25.185 -4.395 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 -6.629 12.587 7.225 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 -1.075 8.990 -0.466 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 6.125 5.713 -0.670 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 11.996 -15.196 33.594 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -4.296 -1.203 0.506 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 -13.604 0.616 -9.093 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 11.201 4.005 1.514 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 3.954 2.389 2.934 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -8.564 7.461 -17.678 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 14.374 -3.074 12.710 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 -2.540 5.501 2.421 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -5.023 -8.673 13.573 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 -4.150 18.238 11.718 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -4.739 0.735 1.169 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 8.551 -6.056 21.706 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 16.706 -8.704 -32.755 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 -4.897 -2.743 -2.408 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -13.736 -20.354 -1.120 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 25.200 -8.218 8.585 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 5.690 -2.379 -2.953 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 5.630 -1.811 -0.514 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 -6.321 -5.847 -15.817 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 -0.670 2.810 -2.818 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 1.681 4.992 9.553 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 3.705 13.196 -5.242 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 1.402 3.432 -5.198 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 3.262 2.301 -3.999 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -27.997 13.638 -13.885 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 -4.254 2.615 4.680 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 24.106 13.937 1.312 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 7.849 2.680 -4.817 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 0.770 0.630 -0.095 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -9.691 -15.603 -3.199 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 -4.742 -5.271 8.538 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 6.101 -4.855 0.921 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 -0.589 0.230 -1.707 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 1.058 12.114 -3.844 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 3.033 -3.551 0.176 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -10.562 -10.413 7.789 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 -23.333 18.875 2.672 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 4.205 2.160 -3.702 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 -15.534 -5.176 7.581 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 10.500 9.439 -11.905 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 -4.193 -6.274 -0.726 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 -11.485 -12.976 2.440 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 -21.747 9.848 -14.833 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 -6.509 2.020 -2.813 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 -2.727 -30.672 8.232 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 8.343 11.609 -22.971 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -3.124 -2.389 3.465 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -2.115 -12.486 8.598 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 -8.589 -13.247 8.499 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 3.014 -3.293 3.691 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 9.910 14.911 4.094 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 0.771 -3.585 -2.604 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 1.770 -2.662 0.961 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 -9.159 -5.860 -12.916 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -34.832 -1.141 17.521 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 -2.204 5.486 -3.808 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 7.503 7.859 -0.290 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 6.515 6.269 -1.510 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 1.263 -9.107 -7.356 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 17.152 -5.387 -14.517 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 2.866 -4.782 11.788 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 2.306 -11.160 6.106 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -11.715 14.587 2.802 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 -19.651 -2.720 15.761 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -7.548 2.252 -0.586 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 -3.652 2.989 -20.953 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 5.091 9.053 -13.271 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 3.554 -3.686 -2.301 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 -1.296 -7.884 -28.943 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 -12.918 16.775 6.150 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -6.378 -1.974 6.443 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 -14.993 -2.138 24.138 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 6.893 -16.305 8.372 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 1.313 1.083 3.727 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 4.677 -3.664 2.516 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 3.061 -1.468 1.350 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 7.908 -3.221 3.781 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 13.156 -2.217 6.572 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 7.745 26.232 -1.397 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 7.315 -1.865 -3.503 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 9.872 0.780 -10.629 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 -3.743 -2.205 -6.507 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -5.015 10.021 -5.598 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -0.646 9.864 -4.441 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 -15.208 -14.897 -19.719 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 2.445 2.666 -2.225 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 1.550 36.547 5.535 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -23.926 3.589 13.034 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 2.451 -3.969 2.237 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 5.032 -10.263 27.382 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 4.959 2.029 -4.020 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -2.006 5.523 3.105 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 2.841 34.475 18.134 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 -12.244 -0.577 -5.022 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 4.292 3.235 -10.305 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 -3.426 -6.879 0.854 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 5.551 10.353 -6.358 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 2.685 4.897 -7.759 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 -5.571 7.466 -5.117 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 0.891 0.706 1.673 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 3.039 -0.373 -9.606 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 2.216 1.395 5.256 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -0.063 -43.543 -11.488 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 -5.023 4.769 8.555 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 -5.872 -2.384 14.589 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -2.661 2.195 -9.552 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 3.953 -1.068 -6.339 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 5.670 2.032 10.654 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -18.313 0.520 6.225 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 0.312 1.450 2.928 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 28.457 7.185 9.163 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 -17.878 9.844 2.674 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 2.172 3.874 2.701 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 8.988 -5.285 -12.230 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 1.054 16.561 -3.163 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -0.117 3.909 1.738 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 26.334 19.217 8.288 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 -20.199 -9.116 18.870 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 2.940 9.264 6.525 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -8.644 4.474 -0.906 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -1.590 7.639 0.803 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -3.331 -3.740 -3.750 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 -2.758 -7.779 -11.243 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 -21.215 -6.878 -14.539 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 5.785 0.799 -0.586 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 4.780 0.616 -1.413 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 8.888 3.463 1.664 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -5.806 2.274 1.187 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -5.484 2.764 -1.444 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -4.412 2.715 3.236 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 0.071 -7.338 0.323 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 -25.389 -1.755 3.145 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -6.374 2.632 6.173 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 -3.314 2.962 2.364 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 6.137 16.243 3.125 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 -3.643 7.581 -2.565 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -1.815 -1.417 -2.779 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -3.420 -0.825 2.268 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 2.511 -4.849 -20.036 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 10.697 0.477 -0.453 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 17.399 14.892 -8.505 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 17.032 -14.534 -2.597 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -10.383 1.860 -0.117 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 10.254 19.607 -30.223 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 13.124 -7.355 29.434 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 8.306 -2.465 -1.138 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 15.107 10.502 -1.439 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 14.225 -8.478 -15.486 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 1.359 0.777 4.538 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 -0.781 4.891 16.274 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 -12.970 -14.744 -20.785 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 -8.079 1.377 6.075 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -1.273 20.837 -3.208 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 -5.311 10.286 3.970 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 -0.372 -1.148 1.806 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 -18.036 2.619 -0.592 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -10.508 1.097 0.692 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -2.362 -5.532 0.008 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -0.823 -8.406 -16.354 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 11.375 -5.045 19.004 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 3.698 8.308 3.127 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 -11.075 -11.312 -0.865 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 -9.859 0.448 -7.693 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -1.342 1.131 0.737 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 -3.354 14.350 -1.777 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 -16.991 -5.696 -2.987 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 -5.487 -0.347 -0.735 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 13.927 5.425 16.152 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 10.696 7.327 9.178 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 -2.650 -4.016 -6.650 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 -13.186 -0.508 -0.560 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 -5.554 -8.033 -9.103 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 3.433 7.437 4.016 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -23.637 5.970 6.527 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 7.190 6.292 4.662 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -5.486 1.850 1.929 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -9.954 -0.295 -8.176 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 7.690 3.680 18.463 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 -2.177 6.595 -2.910 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 -4.567 7.773 -4.912 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -8.332 -2.834 -14.823 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -4.330 -2.904 7.694 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 -12.490 4.036 6.884 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -3.602 -3.162 9.844 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 1.902 7.050 0.077 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 -10.117 24.639 -4.114 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 4.899 -23.692 0.500 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 -2.447 10.950 4.151 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 16.879 -2.819 -5.455 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 12.160 -0.735 -8.173 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 0.166 -2.107 -0.974 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -15.859 -5.796 -18.460 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -3.836 -17.004 15.243 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 -1.184 1.799 3.135 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -18.787 26.900 20.107 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 -6.856 -10.384 1.125 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -0.724 -2.716 -1.705 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 -9.520 -10.114 10.356 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 7.443 -1.840 -12.148 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 -1.173 -0.777 4.758 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -7.626 -2.888 4.919 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 1.196 1.987 -18.844 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 1.065 -0.900 3.412 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -5.145 -0.089 -7.255 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 3.945 -12.583 4.419 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 1.569 1.384 -3.882 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 6.076 6.941 4.857 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 0.550 -0.709 9.877 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -3.790 -3.668 0.874 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 2.868 -14.637 -1.497 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 13.610 0.115 7.601 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -3.747 6.197 5.705 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 -15.854 8.469 5.369 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -2.321 -7.030 -1.217 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 4.786 -6.623 -7.307 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 8.197 9.352 21.259 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 4.367 5.836 20.074 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 5.127 4.597 3.202 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 3.379 10.615 16.084 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 5.160 4.647 2.694 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -1.576 -5.064 2.390 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 8.369 -14.227 10.299 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -2.842 -4.421 2.360 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -6.408 -2.590 1.927 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 29.912 47.507 7.823 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -17.255 9.545 7.143 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 0.638 2.030 1.133 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 0.799 1.000 -1.351 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -16.615 -10.687 -15.167 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -5.735 -0.014 6.334 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 -1.176 13.554 2.867 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -5.018 2.927 6.200 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 0.153 4.742 7.587 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -0.187 -10.689 26.395 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 -0.382 -15.179 16.855 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 1.191 -0.447 5.968 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 12.398 -12.505 -15.827 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 23.986 -9.885 -2.607 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -2.034 5.530 1.197 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -30.147 -14.951 -14.849 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 -10.901 -6.240 -1.209 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 1.626 -4.866 -1.875 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 2.390 -13.725 4.045 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 10.394 -18.441 -6.498 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -2.755 -3.669 4.883 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 -11.514 -22.108 -0.231 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 -14.639 -23.419 23.422 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 6.387 7.340 2.145 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 7.285 4.176 -4.984 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 -1.993 6.966 1.457 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -1.315 3.166 -0.361 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -21.436 28.609 -28.499 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 -26.940 -3.298 -11.169 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -1.800 1.250 -3.955 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -9.724 8.168 -6.743 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 -5.680 16.983 1.593 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 -0.024 1.899 0.329 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -17.936 23.038 4.347 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 -3.470 -4.022 -6.729 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -0.700 -0.965 1.029 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 1.051 -5.709 1.446 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -9.412 9.887 0.974 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 5.167 -1.293 -1.725 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 13.177 -8.781 -5.502 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -1.839 3.822 1.272 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 -5.607 -4.943 3.622 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 -11.400 -9.319 -8.055 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 0.815 -0.934 22.990 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 5.841 3.934 2.140 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 -2.919 1.760 12.803 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 5.930 3.762 2.088 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 -5.054 1.078 -2.260 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 0.393 -1.251 2.965 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -18.397 -17.895 -28.530 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 -3.779 -2.691 -6.403 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 4.324 4.729 -4.191 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 -16.428 -11.755 3.072 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -4.466 -1.884 -1.364 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -11.210 7.816 14.891 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 7.878 -2.803 1.593 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -1.656 -5.111 2.518 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -19.434 6.765 11.607 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -7.646 5.108 -14.668 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 5.922 1.896 -0.545 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 10.670 -6.478 -5.557 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -2.017 2.902 -1.088 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 0.340 2.564 6.260 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -4.377 7.612 2.497 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 -1.312 6.311 11.327 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -1.746 -1.729 3.401 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 9.816 -33.123 15.430 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 32.671 7.338 11.030 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 7.987 -7.283 11.899 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 2.864 -4.722 2.962 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -0.786 -9.791 15.213 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 -0.162 -2.325 4.979 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 14.803 -12.028 19.475 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 0.693 -1.867 2.543 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -1.802 -0.227 -5.867 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -11.538 -15.918 -5.813 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 7.810 20.637 -4.714 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -2.208 3.159 -0.337 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 -19.618 15.037 -1.094 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 5.970 6.767 -13.950 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 3.110 9.025 0.537 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 8.308 13.840 4.967 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 7.307 15.262 6.244 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 4.248 -3.700 1.681 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 6.139 7.918 3.608 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 -1.240 -4.813 9.718 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 9.345 4.499 1.056 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 -7.476 5.250 5.595 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 8.597 8.575 -1.920 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 3.899 -3.896 1.041 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 -29.591 16.610 -5.190 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 17.316 -9.624 14.916 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 -7.649 -4.347 -0.275 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -8.916 1.453 0.384 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -11.069 -6.279 -0.820 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 2.821 2.900 -0.960 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 1.081 -5.598 8.867 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -18.313 -10.898 1.920 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 6.321 8.068 1.025 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 23.520 2.818 3.972 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 26.676 4.711 1.113 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -2.685 4.700 4.442 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 18.683 -15.464 -6.289 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 2.005 18.790 11.248 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 0.349 -3.201 -0.732 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 10.310 -2.861 5.928 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 -1.082 0.522 3.744 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 3.188 -3.415 2.536 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 -7.800 -4.256 14.842 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 11.231 17.018 4.330 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -5.254 2.041 -5.030 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 1.963 -5.358 -12.070 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 2.454 -2.827 2.598 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 -2.368 2.809 -0.963 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 6.105 9.618 6.503 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 8.378 -11.888 -4.714 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 0.193 -0.535 6.489 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -10.843 -13.521 10.862 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 6.349 5.076 4.632 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -7.899 -6.655 4.877 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 -11.664 3.016 -7.426 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 1.835 4.196 17.118 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -5.984 0.302 -0.269 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 -22.726 2.988 5.055 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 -14.627 10.368 10.718 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 0.778 5.152 1.860 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 19.760 -3.527 -7.013 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -0.400 19.322 17.684 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -13.755 -2.016 2.297 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 28.829 -8.917 0.986 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -22.249 -4.668 -1.817 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 0.807 -2.568 -0.030 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 7.258 -5.981 7.830 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -18.624 -10.382 -15.171 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -1.568 -0.379 -3.897 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 -7.045 -6.771 -0.556 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -3.260 -0.766 -12.188 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 1.024 1.401 1.321 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 16.291 10.674 11.697 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 10.564 0.871 -18.953 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 2.604 0.714 -4.182 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 -2.837 31.454 -7.268 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 5.290 -10.399 -37.712 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 4.205 3.349 -0.731 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -19.337 -8.926 0.647 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 7.819 -18.738 -12.877 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 8.562 -1.746 -5.652 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 6.862 -12.169 2.161 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 19.336 3.126 -1.769 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 8.326 1.249 1.955 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 19.493 9.768 -14.601 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 9.153 -26.263 0.721 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 2.605 2.181 -4.469 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 1.625 -0.609 15.935 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 -28.490 -23.257 -1.048 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -0.858 2.003 -1.521 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 -8.020 -18.180 -0.373 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -1.683 7.702 -20.455 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 3.361 -0.581 -1.589 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 19.268 8.749 -6.336 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -5.063 11.831 6.133 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -1.370 0.475 4.902 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 10.265 3.498 1.147 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 12.139 -6.125 -6.270 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -4.671 -1.736 -7.374 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -0.514 -10.112 -5.893 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -0.749 3.726 7.549 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 -1.123 0.475 -1.992 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 -1.079 3.462 1.127 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 -3.375 -2.237 5.318 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 -4.903 -8.762 -1.216 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 2.119 -11.656 -1.842 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -5.112 -6.395 6.218 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 5.911 6.591 -3.075 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 -2.944 10.339 16.654 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 12.631 6.367 15.382 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 0.950 3.543 -4.091 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 4.398 2.767 -8.177 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -2.073 5.694 -5.341 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 2.036 1.213 2.844 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 -2.594 1.031 -5.118 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 -12.672 0.286 -16.144 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 8.886 0.376 0.638 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 14.530 -13.862 4.476 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 15.369 -12.152 10.734 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 2.899 -1.109 11.653 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 6.149 -15.988 6.248 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 5.151 -4.467 4.573 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -0.706 -6.468 -10.995 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 2.069 -12.627 3.786 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 -11.318 -2.078 -17.051 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -5.459 0.562 4.622 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 3.503 15.505 1.742 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 2.009 -6.226 -4.513 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 6.161 3.380 -4.558 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 13.235 -16.215 13.452 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 -23.539 -0.508 -14.781 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 0.545 0.836 0.244 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 2.488 -6.002 5.447 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 2.853 -10.572 10.919 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 0.543 2.470 -2.197 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 2.631 20.807 -10.279 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 8.281 -9.117 1.430 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 3.413 -1.300 -1.394 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 3.412 -5.819 -17.197 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 4.554 27.174 -8.481 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 1.148 -0.723 -10.087 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 -10.515 -13.335 -1.720 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 19.265 -10.503 -14.162 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -2.201 -4.302 2.790 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -26.145 9.724 -13.549 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 21.826 -28.010 27.388 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 -6.997 -1.004 6.753 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 -1.992 -2.732 -12.813 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 0.041 -4.421 17.817 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 5.915 -0.687 -0.367 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 6.292 9.068 -9.000 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -11.642 -11.352 7.603 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 2.676 -3.787 0.521 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 7.812 -17.462 4.070 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 9.047 7.311 18.787 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 -9.232 -7.923 -2.194 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -11.166 -14.937 -4.851 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 0.767 -6.063 -0.117 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 5.154 -3.641 -3.374 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 2.745 0.923 4.988 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 5.139 -12.703 -15.123 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -3.632 -8.620 -0.458 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 -8.124 -13.079 4.395 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 -6.586 -10.758 -7.302 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 1.746 2.132 7.631 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 10.176 -17.540 13.866 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 6.217 4.269 5.059 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 5.392 0.728 2.554 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 11.790 1.902 -0.063 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 5.573 -2.063 8.945 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 -1.571 -3.477 3.955 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 -23.174 17.721 4.039 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 14.524 -14.091 32.414 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -2.929 3.233 -6.573 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -0.773 5.494 -13.812 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 2.584 10.791 -18.530 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 -1.659 3.367 2.882 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 -2.927 15.255 -20.224 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 -1.134 -3.267 18.943 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -2.458 -1.000 -1.329 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -15.430 -5.696 8.876 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 18.403 10.913 -19.352 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 -7.263 0.006 -1.717 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 12.360 24.857 -5.934 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 11.422 -21.111 -3.153 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 1.655 -1.826 -2.020 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -18.395 4.628 6.549 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -11.420 19.743 5.149 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -2.533 -0.244 -3.386 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -5.753 2.249 -5.892 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 8.680 -3.686 -0.983 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 4.693 2.615 2.457 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 17.283 2.229 4.293 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 6.939 -3.913 -3.778 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 1.116 -2.971 -0.645 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -16.520 -34.366 3.615 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 8.639 -23.342 2.199 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 1.796 -2.252 4.382 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 -0.136 4.364 -4.335 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 14.672 -16.856 21.645 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 -0.585 0.981 -5.539 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 -2.996 -3.603 -7.818 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 -4.137 13.508 9.051 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 -10.716 3.275 -0.084 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -8.730 28.197 6.821 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -19.259 16.192 4.933 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -4.073 -2.668 -5.185 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 23.046 0.921 -3.929 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -12.033 10.242 -31.546 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 5.259 -0.691 -4.848 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -1.182 9.592 -3.442 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -5.434 -12.246 22.204 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 -1.401 10.653 4.355 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -1.628 9.256 3.522 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -2.836 13.495 5.703 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 1.872 1.630 -4.902 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 22.333 27.916 -12.735 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 2.376 -23.611 16.176 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 -4.645 -3.667 -1.463 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -12.479 7.350 -19.754 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 -6.286 -4.392 -0.554 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 5.564 -7.802 -1.829 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 11.056 -23.927 16.888 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 10.427 8.012 -22.997 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -6.805 -4.270 -6.144 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -21.881 -12.014 -12.024 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -5.095 -2.510 -4.961 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -2.439 -4.587 -5.026 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -5.903 -3.998 -5.058 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 -27.922 -6.372 0.458 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 0.960 2.380 3.678 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 17.363 -6.985 -10.432 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 -7.834 11.678 6.661 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 4.682 -5.664 1.262 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 -6.086 8.529 22.981 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 24.457 13.599 -8.293 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 -5.041 3.210 3.863 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 13.087 3.761 9.687 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -36.577 -9.103 -6.715 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 4.090 -1.014 -0.636 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -13.625 -14.377 -20.621 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 13.829 11.531 -9.826 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 2.484 -2.278 -7.554 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 4.330 -10.272 21.028 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 12.196 1.419 -7.674 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 -3.254 -2.230 6.240 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 8.671 8.240 -5.625 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 10.044 -18.297 12.355 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -2.748 5.668 -1.896 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 10.447 27.120 2.149 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 0.828 4.343 0.348 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 1.722 -2.485 -0.353 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 8.993 17.927 -2.956 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 10.104 -7.075 -18.951 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 2.354 1.160 3.896 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 3.210 -4.280 -8.577 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 8.635 -1.148 -13.841 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 3.510 -0.841 -8.464 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 22.465 -14.825 -16.162 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 9.275 -8.447 -8.903 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 -0.632 7.244 1.970 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 14.210 -7.357 -2.350 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 -19.029 7.064 -22.163 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -6.046 4.580 5.690 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 1.700 17.649 -15.337 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -2.812 -19.883 -7.429 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 1.376 -2.296 -0.364 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 -10.599 -19.565 17.184 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 9.584 -14.693 5.489 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 0.410 -4.974 -1.156 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 17.293 -17.006 -38.505 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 -2.928 -2.059 4.828 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -6.118 -4.347 2.198 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 1.513 31.231 14.754 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -0.955 -13.142 -10.710 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -2.338 -1.587 -0.729 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -4.963 2.876 -4.675 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 2.256 -0.677 5.375 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 0.343 8.071 -4.189 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -0.731 10.492 -7.232 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 -17.943 18.367 6.288 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -3.080 -1.120 1.436 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -1.638 2.101 9.092 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 -30.555 12.252 8.312 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 -5.234 0.038 5.501 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -22.247 13.147 6.863 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 -6.087 11.033 -6.626 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 -0.447 -0.881 0.014 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 15.139 -1.889 -6.727 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 -9.656 -9.751 2.387 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 -4.295 -2.945 -5.250 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 -26.528 -2.263 -14.715 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 -12.499 17.761 22.683 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 -1.950 -1.779 3.209 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 3.887 2.153 5.691 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 9.383 5.622 11.330 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 -3.629 -3.391 -7.773 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 14.274 0.127 -0.567 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -8.274 1.335 -5.281 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 -6.480 8.748 -2.825 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 -7.979 -12.949 15.587 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 -7.255 -1.680 7.667 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -6.194 2.451 -2.572 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 13.501 -9.871 -20.059 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 -6.538 -10.167 29.180 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 5.968 4.601 0.020 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 9.011 10.296 -24.205 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 16.314 -27.687 -12.614 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 -4.124 4.264 -0.380 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 -8.007 -12.845 -15.064 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 -11.468 -9.859 -14.892 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -1.264 -3.648 -3.283 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 18.340 6.115 1.128 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -21.539 4.897 -1.441 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 4.809 -6.316 -1.959 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 3.600 -6.321 3.886 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 5.172 -3.687 -0.242 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 2.045 2.540 1.682 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 4.495 -3.353 11.083 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -7.311 6.672 -0.286 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 -2.985 -0.478 5.816 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 3.080 4.077 -6.507 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 6.305 -6.527 -7.843 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 -3.835 8.436 -1.713 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 5.930 0.031 -4.767 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -16.053 8.429 13.741 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 -6.446 1.606 2.419 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 7.877 4.252 -6.987 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 2.896 -17.479 2.071 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 1.432 -7.301 3.171 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -1.710 -2.951 1.661 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 2.221 -4.529 11.505 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 3.420 4.446 -7.331 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 20.777 9.836 24.851 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 6.786 14.557 16.392 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 2.514 -3.856 -4.504 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 7.019 10.279 -2.820 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -4.538 -10.812 -9.207 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -1.550 -6.605 -3.938 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -6.824 27.241 -3.323 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 41.406 17.037 6.259 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 2.142 -0.277 -0.287 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 -33.149 24.396 14.389 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 9.602 -5.579 -3.249 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 3.676 -2.654 -2.643 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 4.226 26.283 -13.289 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -4.558 -3.732 14.801 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 9.653 -3.343 0.765 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -11.964 -0.106 -22.721 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 35.081 19.868 -8.550 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -0.887 2.558 -1.635 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 10.723 2.656 -13.757 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 -15.619 -10.145 2.826 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 5.195 0.460 -9.639 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 2.929 -4.468 1.886 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -4.521 6.115 -14.102 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 5.321 -0.422 -1.107 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 11.092 -1.940 -6.957 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 3.226 -8.780 -7.082 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 -0.669 -3.729 4.676 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 2.718 16.210 15.257 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 -2.611 0.542 -11.196 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 4.854 -0.814 8.516 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 9.083 3.421 -13.835 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 -26.244 -23.329 1.361 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -2.354 1.568 -6.374 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 5.443 -20.170 -17.251 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 4.131 10.161 -19.723 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 2.621 -2.188 -2.852 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -2.667 -9.886 5.906 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 0.297 -4.583 13.980 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 -0.747 -9.840 1.587 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 10.798 -36.819 -6.941 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -4.073 -5.113 -4.725 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 3.125 -6.390 -3.785 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 8.226 11.818 -6.946 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 1.542 20.728 -16.893 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 5.638 -1.794 1.697 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -33.078 -14.742 -16.703 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -8.102 9.417 -11.917 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 -2.488 -1.717 3.186 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 -5.549 8.819 0.099 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 2.772 1.292 0.095 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 2.791 0.101 -6.153 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 6.530 28.625 6.271 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 4.705 -2.629 -0.425 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 5.883 1.696 -5.151 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -5.543 10.903 -14.985 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 11.562 3.249 9.781 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 1.779 8.228 6.929 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 0.760 -0.297 0.800 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 2.003 -11.978 -7.467 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 2.200 2.206 3.451 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -1.733 -0.441 8.419 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 -3.619 3.615 -1.107 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -1.868 -4.743 -1.358 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -15.768 10.819 2.052 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -14.277 -14.670 -18.155 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 1.408 -2.355 4.959 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 4.751 -12.315 16.566 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -6.873 -0.443 4.086 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 7.552 0.066 -1.028 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 23.448 -6.871 -1.766 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 6.315 1.879 11.338 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 -1.880 -7.324 -0.340 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 -10.333 3.085 6.752 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 -5.344 -4.816 11.217 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 5.986 1.656 5.445 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -5.502 -9.687 -0.100 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 13.424 -2.498 -6.070 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 1.763 0.397 -1.804 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 11.548 -0.147 -8.390 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -0.676 -18.446 -22.674 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 -2.196 4.143 5.305 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -2.468 0.537 -1.172 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 -1.878 4.306 14.120 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 1.899 0.354 -0.394 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -5.011 16.096 -10.805 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 -10.365 6.131 24.125 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 -0.582 -2.634 1.294 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -4.927 -5.799 -3.336 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 2.753 -9.539 0.295 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -2.764 3.401 -3.861 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 -20.524 6.758 18.707 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 20.465 -21.076 -26.714 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 1.464 1.081 -1.583 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -1.993 4.856 12.835 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -0.837 8.284 9.502 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 1.450 1.799 4.776 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 7.559 -8.337 7.472 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -5.278 16.534 2.561 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 1.186 -1.110 -2.506 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 2.713 -7.282 0.652 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 0.185 7.839 -3.221 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 2.513 0.887 8.644 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 20.737 -23.178 31.456 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -11.854 8.951 3.568 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -5.853 0.833 -0.246 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 -1.427 12.217 1.453 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 -6.320 -0.316 -0.351 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 -4.744 3.010 -1.226 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 11.294 0.773 -3.916 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 0.524 6.918 -3.395 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 2.958 6.708 0.940 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 6.399 6.927 -20.217 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 -5.321 -10.654 3.491 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 -0.713 -0.795 3.386 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 3.090 -3.281 -1.291 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -22.213 1.277 -14.198 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 -0.473 -0.327 2.806 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -26.591 21.738 -17.910 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 7.031 -4.191 3.280 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 0.758 -0.758 4.257 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 5.569 -23.466 34.897 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 -14.747 -18.821 3.353 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 -0.478 -1.112 7.995 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 5.802 -6.482 11.258 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 -0.199 3.097 4.010 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 -3.715 2.677 1.796 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 -1.681 -0.686 7.906 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 -3.364 4.800 2.352 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 -4.487 -0.532 4.461 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -13.282 2.485 -12.163 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 5.677 -12.606 8.983 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 -3.549 -5.294 -2.108 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 5.582 5.734 5.942 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 -0.561 17.751 -6.045 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -2.216 -1.758 4.552 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 9.051 11.949 3.451 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 2.648 -16.843 2.885 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 3.831 -3.720 -1.948 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 -2.091 0.477 -15.072 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 2.842 -3.190 -4.313 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 0.334 -4.802 -6.123 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 26.660 -8.628 -6.261 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 9.693 -7.468 -6.594 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 1.557 7.404 -0.813 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 2.734 4.395 14.776 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 11.368 8.193 -20.993 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 0.398 0.013 1.798 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 1.346 -0.911 13.883 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -6.837 11.646 6.073 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 -1.399 3.748 8.634 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 -3.153 2.349 0.809 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 -9.454 2.779 34.722 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 7.683 4.719 -1.819 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -5.062 24.884 -10.917 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -9.650 -14.450 7.266 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 0.151 -6.301 -4.805 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 16.318 -17.322 -0.705 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 3.149 3.366 -21.926 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -2.620 0.817 -3.465 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 -14.937 -2.974 -8.677 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -5.217 -0.250 -9.939 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 7.012 7.249 3.255 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 2.775 5.996 3.208 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 7.148 7.062 3.814 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 3.395 0.723 5.333 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 3.838 4.029 1.951 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 5.409 -8.832 -14.337 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 -9.309 -6.065 -1.246 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 -7.303 -9.192 -4.308 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -18.232 1.896 13.684 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 -0.637 -0.005 7.611 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 -18.200 20.371 5.234 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -9.195 19.501 20.944 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 -6.586 -4.537 6.945 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -29.168 -4.984 -7.313 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 3.171 -21.342 2.214 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 0.589 5.702 1.541 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 14.673 -20.839 -0.221 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 -7.359 -7.019 -4.949 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -3.373 -3.050 1.690 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -1.574 -1.734 -4.983 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -6.888 4.510 4.529 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 -1.419 0.545 2.049 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 -1.786 0.941 -0.275 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 -2.869 0.058 2.195 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -6.771 2.258 -2.884 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 2.901 -19.543 14.374 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 2.311 -3.695 6.014 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 -2.159 -2.811 0.170 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -15.401 23.643 5.665 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 13.408 -23.108 1.861 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 0.721 5.009 2.537 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 24.124 16.877 -0.692 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 -9.838 3.172 -21.443 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -0.644 -0.887 -2.196 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -12.106 -2.430 -3.356 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 2.373 -9.613 -0.964 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 1.139 -0.961 4.002 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 11.135 7.848 0.276 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -13.980 16.402 -0.111 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 6.072 3.780 -1.416 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 6.992 -19.319 -11.686 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 -12.739 -8.190 -2.101 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 2.186 0.938 2.924 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -1.326 -12.431 -6.735 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -9.104 -8.389 16.473 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 -6.663 2.322 0.095 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 0.485 -3.854 -6.317 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 5.229 -30.011 -0.256 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 2.796 2.801 1.349 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 15.637 3.982 -10.079 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 -0.424 16.467 10.574 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -1.597 3.894 2.302 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 -5.430 6.021 2.203 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 -7.635 -3.370 10.074 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 0.414 2.897 -2.309 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 15.057 -8.593 10.100 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 21.889 -24.092 -0.409 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 9.291 -0.063 3.501 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 -17.309 23.833 3.966 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 -8.910 14.143 -12.016 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 1.437 -2.160 0.770 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 -5.525 -7.976 8.307 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 -7.217 -3.057 -8.743 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 7.857 -0.797 3.740 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -9.621 29.655 -31.777 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 -16.258 -10.957 -3.355 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 -3.562 0.561 4.781 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -21.467 -10.778 7.974 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 5.846 -9.553 -12.328 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 -5.770 6.453 -0.960 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 7.906 19.928 -27.350 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -0.561 -7.381 2.544 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 0.108 1.790 1.583 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 -11.712 5.930 -5.897 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 22.064 -20.667 11.480 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 -1.307 -4.278 -3.558 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 8.277 -13.519 1.565 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 -17.973 -4.216 16.793 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -2.110 -3.970 3.806 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 2.461 -2.876 -3.097 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -5.461 5.250 2.038 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 0.204 -3.366 2.712 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 -11.288 7.811 32.610 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 -9.450 0.218 14.657 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 -0.241 -5.926 0.913 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 -4.270 9.937 8.511 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 18.914 -16.362 7.260 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 6.864 0.551 -4.843 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -0.219 3.944 -8.652 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 11.132 7.146 -18.388 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 1.944 1.812 -6.068 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 -14.269 -6.156 0.705 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 -3.936 -8.748 -12.473 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 3.377 -0.603 1.401 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 18.377 0.170 4.927 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 15.004 4.191 3.164 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -1.434 -0.014 2.431 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 -9.666 33.985 -7.941 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 -2.925 -7.084 -18.154 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 -2.375 -2.467 0.978 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 17.029 6.704 -21.062 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 11.523 -16.333 19.228 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 3.616 5.343 3.304 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 6.224 6.510 -4.196 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -22.561 -2.198 -1.780 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -3.676 -2.563 -1.201 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 -20.128 -4.955 5.815 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -1.618 2.555 9.517 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 4.371 2.126 2.369 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -6.652 18.829 -13.006 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 14.253 -8.319 -12.370 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -3.873 6.955 2.733 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -12.705 2.911 4.354 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 0.616 -19.202 -16.543 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 1.873 1.216 -0.014 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 8.215 -8.716 6.567 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -5.393 1.722 7.602 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 -5.081 1.397 0.011 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 8.577 -8.873 3.853 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 0.525 4.771 10.001 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 1.826 -0.732 7.324 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 -3.715 -0.594 6.854 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 5.728 0.811 4.406 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 4.879 3.962 -2.181 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 3.162 -45.183 -1.278 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 5.450 6.909 -2.069 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 1.069 1.634 -0.981 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 15.378 12.584 2.623 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -31.906 -0.258 -6.801 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 -7.839 -2.357 8.367 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 4.751 -14.042 5.678 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -12.275 -13.171 10.414 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -3.057 3.703 4.799 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -1.616 32.558 -11.795 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -17.402 -14.553 17.835 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 3.078 10.352 -5.385 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 12.142 -4.598 -12.715 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 0.850 20.171 -4.653 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 5.562 -6.248 1.821 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 -5.895 1.872 -3.170 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 9.022 -22.654 7.346 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 0.120 -3.129 -1.423 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -3.734 -8.174 -5.982 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 -6.708 2.808 1.549 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 4.528 9.385 1.046 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 22.914 -8.553 -2.556 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 -17.939 -11.014 4.680 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 5.324 3.672 -0.033 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 9.222 2.856 -21.013 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 -6.286 -11.079 6.472 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -3.729 0.767 -0.147 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -7.632 23.425 11.141 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 14.847 10.270 7.288 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -6.071 9.769 -1.321 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 25.648 15.741 -16.590 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -5.626 7.906 -3.346 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -1.476 2.067 3.031 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -8.101 1.719 20.387 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 24.905 0.825 3.721 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 -3.461 -8.807 4.022 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -10.579 -6.229 -7.453 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -0.354 9.255 19.185 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 -7.668 -5.227 -7.102 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 1.645 -12.148 13.532 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 -4.298 -5.763 12.541 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 4.150 0.388 1.950 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 -7.623 9.685 0.547 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -11.735 6.406 -1.076 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 11.502 2.074 1.393 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 18.015 -2.084 6.974 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 5.174 3.784 -3.939 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -0.064 1.917 -6.168 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -0.960 1.793 -9.038 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 0.955 2.544 -5.573 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 0.864 1.622 4.622 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -3.122 -6.144 5.075 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -6.494 11.061 10.653 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 0.973 -7.161 -0.811 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 26.204 -10.646 9.259 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 -10.104 -3.456 -5.011 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 7.251 -3.837 -2.076 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 22.940 13.680 -11.418 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 -6.659 -7.542 -0.502 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -3.160 5.961 -1.549 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 -13.721 -5.439 -13.517 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 7.897 -15.295 -12.038 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -5.902 -7.692 2.410 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 -2.486 -10.319 -1.006 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 11.606 1.236 -6.546 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 1.971 0.550 1.722 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 5.462 -12.749 9.772 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 8.533 -23.498 7.983 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -2.075 -0.471 -2.530 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 6.404 -3.131 12.264 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 0.120 12.029 26.597 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 1.067 4.899 8.515 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 13.313 0.820 -2.754 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 -1.964 5.243 3.861 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 3.471 -4.067 1.045 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 12.126 10.212 -4.965 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 23.302 25.334 -15.172 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 2.619 -0.043 -3.258 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 4.514 -14.396 2.726 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 12.927 4.465 -3.305 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 -9.205 3.477 -0.679 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 8.342 -13.789 1.011 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 -9.848 4.779 4.520 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 -3.478 -4.763 7.384 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -20.498 -14.693 13.278 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 4.134 8.982 19.596 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 2.980 3.618 -0.819 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 21.345 -11.620 -8.275 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -2.253 2.664 -12.356 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 -4.295 -1.714 -5.793 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -9.565 6.255 0.236 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 6.613 3.589 -1.475 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 2.891 -0.871 -2.044 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 -2.250 3.520 -3.037 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -4.762 -9.165 -4.534 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -1.654 -4.512 4.028 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 8.442 -1.736 -11.343 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 4.842 -7.199 -4.732 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 -2.292 -2.204 3.836 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 0.884 5.051 -8.498 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 -10.022 6.123 10.844 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 4.607 2.678 8.550 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 5.040 9.201 4.941 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 4.373 3.777 7.925 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 0.647 2.910 -3.400 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 -8.436 -6.892 -10.343 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -9.795 -2.445 -3.193 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 5.680 9.038 -2.936 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 3.565 -3.524 4.500 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 13.192 15.123 12.147 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 2.606 -1.263 7.057 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 -17.210 -15.439 11.989 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -27.627 -9.112 3.193 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -4.354 2.671 -2.034 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 -18.172 13.976 1.356 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 -12.921 -1.096 6.895 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 1.057 -0.529 4.327 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 1.037 -9.217 7.650 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 -1.907 -11.361 6.369 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 2.157 -0.005 -2.365 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 1.283 2.444 -3.425 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 8.926 -16.706 2.198 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 -3.369 0.364 -0.645 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 11.995 6.015 -6.916 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 23.386 6.801 -1.390 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 -4.829 0.043 -4.593 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -2.518 -11.916 -11.120 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 4.070 7.316 -17.091 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 1.145 -4.857 -5.658 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 8.636 9.314 18.444 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 -1.429 -27.580 -9.104 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 -2.700 4.423 0.576 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 -16.879 16.318 -3.871 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 6.908 -4.308 -2.315 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -11.185 1.558 -0.311 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 -9.336 24.527 -8.349 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 -14.569 -14.821 4.017 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 -3.271 -0.681 -0.608 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 7.782 -3.628 7.229 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 13.945 -10.920 10.070 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 1.979 4.489 -4.040 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -6.089 -0.395 -22.624 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 7.624 14.934 -11.552 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -7.319 1.394 1.457 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 -8.715 11.623 9.949 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -10.985 2.436 0.789 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 1.037 -4.001 -0.441 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 0.350 -4.580 -1.156 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -7.758 -6.506 -5.305 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 -6.291 0.625 -0.380 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 2.059 5.669 -15.297 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -6.466 4.783 1.072 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -6.183 -2.929 3.810 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 0.480 0.676 1.817 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -13.048 5.128 12.892 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 1.999 -1.946 -5.401 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -2.428 -8.096 -19.020 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -0.833 17.969 -8.721 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -0.557 -2.376 -6.125 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 9.493 -22.218 -20.734 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 -4.651 -14.910 -1.578 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 3.696 -1.934 5.117 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 8.064 20.293 -2.330 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -2.556 7.998 19.751 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 6.889 5.714 8.135 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -6.149 -5.538 1.435 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 1.752 -3.526 -24.606 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 2.832 -2.957 4.141 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 10.429 -20.279 -13.504 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 10.738 -24.352 -20.046 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 -3.973 -5.102 1.706 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -6.349 -26.838 8.610 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 -22.507 -0.098 -9.344 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 10.278 4.514 -1.497 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -10.380 5.129 -11.584 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 15.824 0.761 8.077 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 -5.360 7.053 9.232 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 -4.807 -5.215 17.374 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 5.924 5.384 14.138 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -0.345 1.103 -2.711 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 10.531 -10.411 -12.462 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 -6.516 -8.962 11.608 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 -0.808 0.154 -2.078 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -3.477 -16.359 -2.892 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 16.965 -1.293 0.218 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 4.303 -4.951 -2.093 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 17.186 -19.249 5.005 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 20.979 -24.837 5.965 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 -0.038 -1.306 -1.857 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -3.522 1.797 -17.799 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 1.452 16.266 13.476 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 1.660 -1.746 4.884 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 7.087 -15.791 20.434 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 -6.265 34.214 26.151 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -0.754 -4.372 0.162 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -3.650 7.524 -1.076 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -11.233 -4.280 26.829 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 8.270 0.743 0.846 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 4.096 7.661 0.371 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -9.213 11.971 6.225 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 -7.399 2.471 0.475 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -35.060 39.066 13.764 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 -7.877 -7.676 45.813 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 3.423 -2.461 -2.123 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 0.714 -6.856 13.103 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -4.378 -13.425 5.527 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 2.941 0.022 0.771 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 9.765 -16.068 0.567 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 -10.049 12.363 8.445 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 4.804 -1.387 -0.777 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 2.474 -8.863 10.427 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -7.753 -6.829 -4.088 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 0.078 4.812 -2.157 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 0.450 4.926 35.479 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 14.956 -29.782 -6.809 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 5.406 2.607 1.611 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 18.148 12.318 0.082 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 3.619 -1.643 -0.654 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 8.810 0.523 -0.459 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 17.756 -15.109 -11.325 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 13.428 -18.102 20.126 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 3.126 -4.599 -1.036 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -6.801 -6.773 22.545 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 -11.007 -6.704 19.877 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -0.539 1.402 -1.294 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 -15.920 -13.378 5.953 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -0.412 12.843 -5.242 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -1.000 -3.261 -6.645 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 -8.078 -0.886 13.875 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -4.479 -13.069 13.499 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -0.255 -5.052 -6.540 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -6.321 -23.146 8.233 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 15.718 -20.134 -23.797 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -0.508 -2.438 -0.669 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 12.627 -0.146 -5.310 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -6.727 14.834 -5.886 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -5.706 -11.166 -2.266 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -1.743 -10.652 -24.968 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -8.157 -14.873 -7.772 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 5.948 2.748 9.689 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -0.895 -1.783 10.146 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 14.100 4.408 8.670 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 -12.184 0.555 -3.370 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 27.365 -0.903 8.792 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -2.662 0.140 0.986 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 0.628 9.727 -3.112 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 5.034 9.465 -5.618 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 -18.604 -30.906 -33.434 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 0.485 -3.200 -0.594 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 15.855 7.627 19.220 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 28.766 2.831 -18.851 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 5.952 -1.589 -2.581 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 4.947 11.214 -9.044 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 -2.540 -4.654 -2.319 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -3.178 -6.387 -6.694 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 12.002 31.345 1.920 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 23.019 15.694 -17.272 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -5.038 4.732 7.919 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 -29.695 22.114 5.670 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 -11.916 5.844 13.657 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 -2.491 1.667 2.856 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 -13.648 14.823 -10.673 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 -3.847 1.887 9.109 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 -2.354 -2.814 2.972 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 -9.894 -12.486 -3.641 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -12.200 -10.931 -30.395 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 2.359 -7.336 -3.013 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 1.900 -1.132 -1.471 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 -10.912 -24.379 -23.056 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 3.162 -0.578 -4.677 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -7.503 -1.655 -10.328 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 13.620 -4.590 3.249 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -0.201 7.595 -5.242 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -0.327 5.321 -5.815 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 0.872 -8.866 -2.504 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 11.304 -2.581 0.337 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 19.145 5.802 -1.630 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 8.866 1.274 -9.493 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -8.232 -0.435 0.716 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -1.761 2.244 6.754 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -9.821 4.503 -2.358 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 -1.140 -1.503 -2.807 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 -1.922 21.900 -17.455 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 5.942 -15.733 -22.551 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 -2.620 1.305 0.256 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 15.363 1.403 -25.376 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 17.601 -7.982 -6.340 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 -5.900 0.260 3.085 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -11.019 -2.113 6.968 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 -10.945 7.043 4.132 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 1.246 1.043 -4.239 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -17.159 3.793 -28.779 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 -1.400 -25.508 14.526 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 3.795 -0.332 -3.656 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -8.438 -30.433 4.011 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 12.269 18.123 -6.248 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -2.433 6.211 0.500 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 -3.035 2.493 -4.581 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 6.960 13.279 -10.196 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 6.262 2.713 3.111 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -4.197 -16.497 -15.658 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 -6.913 14.504 0.489 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 -3.117 -0.654 4.829 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 10.311 8.333 14.694 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 -11.182 -2.316 18.314 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 7.033 0.797 0.215 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -8.409 -1.467 33.718 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -10.288 -8.361 -12.875 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 -2.243 -3.395 -1.686 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 0.322 2.203 -4.429 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 -19.114 -8.732 3.885 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -3.143 -4.775 0.587 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 -11.933 2.291 -2.798 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -3.505 -18.954 -6.956 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 -2.868 -0.738 6.364 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -14.282 -17.094 5.326 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 17.948 6.123 0.804 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 1.205 5.541 7.308 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -13.811 16.893 -14.464 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 -3.646 6.184 4.357 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 -2.085 1.878 7.909 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 1.860 -1.672 5.454 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -11.727 -4.700 8.550 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -5.124 11.037 4.637 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 -7.687 19.087 4.329 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -18.860 -1.912 -10.720 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 -2.119 -7.602 -3.086 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 -15.406 -1.978 -9.159 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -6.738 -14.351 -4.786 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 1.162 1.251 4.444 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -5.999 -18.995 24.294 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 -18.531 -13.804 -15.002 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 0.080 1.458 2.999 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -5.907 11.531 6.381 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -8.856 -6.604 0.823 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -3.534 -1.169 -3.823 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 6.222 -34.196 16.432 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -0.566 -1.591 2.317 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -0.645 -0.953 1.344 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 -7.152 -12.982 -36.846 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 -5.303 -6.232 -20.723 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 -4.367 1.513 6.036 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 8.730 -3.377 -4.949 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 -1.910 14.060 37.006 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 1.557 -8.429 -3.179 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 -17.719 15.343 -8.379 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 -1.305 -24.997 -30.605 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 -2.505 1.601 -0.034 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 -16.235 -15.230 4.029 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -1.183 -4.809 1.053 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 4.880 2.870 7.574 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 -3.071 17.711 13.153 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -2.001 -13.085 14.234 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 -0.383 -0.335 -6.038 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 9.838 8.338 0.007 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 11.916 -0.774 30.916 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 2.804 -2.980 -0.007 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -3.937 2.622 7.391 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -12.716 13.154 -12.618 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -2.687 -2.071 -8.624 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -6.006 -5.868 -3.081 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -8.425 15.666 6.383 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 2.958 2.428 5.496 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 9.596 -4.856 -0.410 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 1.275 -5.070 -6.972 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -1.651 3.425 -6.401 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 5.135 -1.360 -1.963 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 16.872 -19.278 4.497 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 6.097 2.537 1.438 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 3.398 0.947 2.082 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 6.357 2.497 -1.603 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -0.896 -3.581 -5.397 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 8.486 -9.517 10.600 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -2.151 5.912 -8.708 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 3.252 -1.588 0.454 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -17.136 8.805 -24.974 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -4.819 1.144 -7.310 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -7.297 -0.776 -9.036 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 -24.987 1.667 12.680 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 -9.596 0.460 -5.662 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 -3.002 0.591 -7.992 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 -11.919 18.315 23.434 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 -17.904 24.317 2.625 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 -1.908 -5.667 -0.024 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 32.715 -6.580 -13.444 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -7.701 37.155 1.523 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 -0.877 -9.681 -0.814 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 -1.465 4.513 2.571 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -4.724 -14.374 9.307 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 7.214 -0.794 1.416 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 5.333 3.523 3.175 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 1.095 18.315 9.514 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 4.152 1.368 1.550 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 -0.693 0.691 -21.459 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -5.818 -4.702 10.254 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -3.041 -4.357 4.890 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -0.576 -19.528 19.734 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -23.046 -32.188 14.980 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 4.496 1.676 7.057 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 -0.251 -3.863 20.616 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 10.957 12.448 -15.595 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 3.624 5.425 -2.041 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 15.013 1.429 -14.659 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 1.815 -3.548 11.055 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 5.860 3.538 -6.293 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 7.664 0.342 -5.515 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 14.754 -3.589 -3.427 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -0.304 3.736 4.339 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 -4.752 0.515 -2.279 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -17.989 0.416 2.553 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 3.956 -6.626 -2.837 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 -6.042 -1.818 -0.152 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 -6.608 -15.349 -1.791 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 -0.143 -0.051 -2.054 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 10.897 10.405 4.466 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 -6.873 11.900 -9.707 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 8.717 4.888 -11.084 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 21.527 3.845 -16.014 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 25.822 -9.004 -13.666 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 3.707 -4.336 -4.257 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -2.361 -12.912 0.796 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 6.823 2.509 6.645 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -0.891 2.233 2.514 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 -5.129 5.922 -0.243 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -1.387 5.192 0.425 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 3.072 -7.695 -3.259 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 12.723 -11.329 -8.957 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 16.965 -12.882 -11.145 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -4.920 0.041 0.846 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 16.385 -2.541 10.659 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 6.905 21.678 -12.347 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 -3.824 -1.066 -2.918 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 3.739 2.699 -13.620 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 -12.734 -4.755 8.579 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 -1.989 -5.859 6.907 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -10.799 9.442 14.114 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 -3.751 -1.422 21.831 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -6.492 -6.537 6.489 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 6.129 -10.382 -36.986 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 5.396 -3.437 1.381 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 -7.266 -5.666 -2.602 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 -1.017 -0.977 -9.516 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -10.989 -14.907 1.560 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 5.438 -3.000 1.597 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 15.769 -7.027 -3.749 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -2.938 -16.021 -2.857 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 -2.173 1.940 -1.267 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 -8.178 9.482 -5.873 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 44.392 -14.131 -18.423 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 -2.455 -1.306 1.085 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 6.545 7.369 14.757 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -10.469 17.712 0.061 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -3.926 -1.843 4.077 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -13.627 9.423 -0.975 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 11.365 -1.748 15.201 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -1.765 -0.092 -4.027 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 -1.654 -5.257 -6.980 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -3.264 -1.357 -4.206 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 4.960 2.345 -6.693 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 9.904 -8.334 -9.102 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -1.601 2.971 -21.598 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -12.473 4.421 6.225 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 -16.312 -4.923 29.288 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -18.414 5.888 12.493 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 2.254 4.485 1.351 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 0.985 4.613 4.354 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 2.896 4.574 0.014 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 0.731 3.395 -2.491 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -17.539 2.082 13.595 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 14.726 4.836 -1.107 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 0.880 4.633 0.118 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 6.937 10.235 -13.940 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 -3.829 -13.765 -5.824 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -8.686 0.935 5.663 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -11.107 -0.670 2.487 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -4.648 -13.827 -5.764 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 0.534 1.824 -1.087 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 -0.598 8.818 7.465 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 7.314 2.248 -0.042 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -0.800 -0.665 0.517 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 -3.235 -24.269 -0.596 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 -0.941 -6.306 -0.876 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -5.697 2.917 2.790 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 10.367 24.714 -5.073 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 -4.885 0.637 18.772 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 3.853 -4.493 1.766 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 -9.189 1.099 -11.037 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 9.461 15.062 5.806 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 6.780 -0.635 5.203 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -9.823 13.414 2.862 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 12.393 3.205 12.227 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 -3.389 -2.131 6.148 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 -2.011 2.269 -3.278 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -7.187 12.428 -1.802 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 0.289 -0.572 3.006 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 3.120 19.037 -5.765 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 -11.217 12.474 13.861 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 -0.493 -3.034 -0.340 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 -23.672 12.947 -1.704 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -17.067 -31.690 -4.551 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 6.214 6.927 -2.907 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 19.936 13.600 -6.148 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 9.006 -0.106 10.735 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 4.096 4.902 5.087 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 -25.119 16.113 -0.365 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 -23.065 3.515 -4.610 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 2.891 1.440 -0.001 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 -8.726 -6.951 1.327 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 16.830 4.461 -15.605 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 -3.547 -1.832 4.367 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 4.098 -4.402 -4.785 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 -13.896 7.358 13.350 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 0.018 3.624 -4.140 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 1.979 -1.438 -14.193 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 6.203 1.617 21.405 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 0.190 0.255 -2.914 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 10.220 -20.547 -20.970 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 21.083 24.722 -16.012 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 5.573 -0.557 2.539 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 0.788 10.189 6.768 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 10.238 12.438 -4.073 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 1.590 -6.654 1.251 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 -10.190 4.145 -1.922 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 17.381 -18.461 8.067 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 0.666 2.523 -2.947 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -14.165 -6.297 -12.158 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 -2.280 -0.908 15.273 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -1.951 -6.433 -1.176 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -0.910 3.664 -0.364 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -3.807 -15.950 0.775 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -6.742 -4.259 0.689 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -10.217 1.057 -5.658 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 9.806 -14.078 -5.641 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -0.397 -0.999 1.601 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 -4.203 -1.822 0.911 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 15.227 9.256 6.638 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -0.799 1.091 3.197 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -6.918 -20.475 8.481 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 -4.637 8.495 9.070 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -6.078 -0.853 -3.504 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -19.545 9.224 -13.016 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 -2.975 -3.751 0.391 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -2.103 1.353 -0.847 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -2.242 6.598 -3.861 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 -0.957 3.632 2.506 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -0.638 -1.913 2.493 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 -2.593 -8.720 5.487 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 1.525 0.347 8.401 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 -2.814 4.110 -1.092 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 -2.226 10.963 -1.915 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -8.711 16.346 20.403 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 -1.843 -1.647 -1.526 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 3.051 -2.112 -7.175 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 -3.564 21.544 -13.963 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 4.390 5.545 -6.417 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 -8.110 16.709 -10.384 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 6.153 7.044 -14.840 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 -0.350 -0.284 -1.987 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 0.245 -5.640 3.096 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -5.715 -5.447 -8.694 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 -1.660 -2.646 4.756 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 -2.098 0.399 19.696 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -12.355 18.715 24.019 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 -6.296 -0.274 -4.121 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 -2.396 24.080 -11.752 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 -3.417 -13.554 -0.379 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 -1.312 -3.780 0.075 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 6.538 45.225 4.160 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 22.949 -19.498 19.979 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 1.954 5.245 -0.062 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 0.814 23.247 1.051 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 11.090 -3.148 -28.270 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 -3.753 -2.931 4.260 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 5.546 -6.730 -22.480 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 -8.658 -17.529 19.877 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 3.844 -2.780 3.058 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -2.835 0.878 -29.243 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 19.670 -17.992 23.205 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 1.333 -2.068 2.039 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 0.062 34.314 19.189 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 9.261 15.815 17.300 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 0.026 -7.278 -0.974 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 2.242 -0.943 24.820 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 7.377 -5.075 -10.236 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 3.341 -11.454 1.415 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -3.042 -5.868 11.899 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 -14.717 -15.770 -29.015 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -3.732 -1.263 1.753 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -23.210 -23.612 -4.899 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 -4.307 10.306 0.034 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 2.980 -5.493 0.005 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -18.711 -3.210 9.666 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -11.185 -15.182 -10.006 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 7.525 -0.612 -1.850 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 13.383 9.563 -7.164 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 22.654 -1.582 2.868 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -4.211 0.970 -5.053 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 -12.611 -21.458 -2.612 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 5.801 -2.644 -21.317 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -1.541 -9.089 2.413 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 0.248 -8.705 -2.873 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -3.792 -1.755 2.119 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 -0.451 6.498 -2.079 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -5.958 5.627 3.308 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -5.220 6.175 -0.178 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -2.107 1.812 6.319 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 9.803 -21.920 -38.228 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -15.439 8.547 -15.582 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 5.987 -2.215 1.749 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 -19.469 15.027 18.380 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 38.068 16.288 -21.463 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 2.108 5.518 7.037 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 9.602 -2.465 16.963 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 -5.364 -4.752 1.396 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -4.896 3.689 -3.713 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 2.916 6.898 20.891 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 0.029 -0.623 0.956 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 -2.847 -1.623 -1.020 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 -5.349 3.444 9.256 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 -35.951 -14.347 4.020 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 -3.432 7.101 -5.840 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 4.297 4.895 18.247 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -17.241 -8.592 -4.938 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 -6.081 0.905 2.663 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 5.357 -1.952 29.463 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 -6.592 4.051 0.786 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -2.401 -11.382 0.508 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 -11.344 -4.291 6.362 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 6.829 0.590 4.525 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 2.028 0.601 1.555 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -4.022 -0.756 19.436 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 9.642 -2.140 22.764 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 -3.860 -5.441 -0.451 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 -7.410 -7.651 0.773 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 -0.562 -7.639 -2.192 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 -0.691 -5.035 -8.998 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 -20.698 -11.920 15.205 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -0.674 -11.332 -12.296 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 2.599 -0.091 -5.367 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 5.508 5.636 2.774 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 -1.711 -12.037 -19.812 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 -2.915 1.974 -0.939 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 -10.033 5.671 -2.721 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 3.600 -2.834 2.942 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 -1.913 4.008 -1.918 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 30.422 17.571 -23.667 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -25.104 15.239 0.009 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 -8.569 -6.866 2.955 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -9.048 -2.779 1.688 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -14.029 -0.286 -0.756 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -1.696 -2.218 5.497 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -25.091 8.812 -1.257 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 9.909 16.385 19.601 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 7.444 1.789 -3.468 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 6.599 18.548 0.088 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -4.649 5.712 -6.824 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 -7.934 2.832 11.363 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 8.936 -14.744 2.644 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -16.949 11.135 0.083 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 3.159 -2.820 -5.129 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 -17.458 17.422 0.977 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 -12.243 11.919 -4.237 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 3.955 0.832 0.230 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 2.654 -0.874 -11.445 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -8.065 -12.757 -27.867 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 -0.276 -5.424 -0.514 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 17.087 -0.032 -15.892 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 21.142 22.156 6.473 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -0.940 -0.159 5.484 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 -6.031 13.427 -3.807 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 18.647 7.706 5.575 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -0.587 -3.224 -5.646 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -6.939 3.932 13.645 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 10.287 6.647 -15.324 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 -2.451 -8.195 7.143 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 -0.373 7.822 17.109 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 -5.090 -11.370 16.555 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 -0.284 0.132 -4.725 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -2.236 -13.797 11.769 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 8.210 5.586 17.873 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 0.377 2.655 -4.682 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 19.492 -26.078 6.124 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 9.432 -9.330 13.281 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 0.183 4.521 -0.441 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 3.840 0.180 26.977 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 -8.214 -0.829 -9.292 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 5.352 0.300 -2.275 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -15.570 3.012 -3.853 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 -4.977 -13.060 11.372 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 0.655 -3.093 -3.364 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 4.165 0.532 -15.617 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 6.951 3.421 7.724 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -4.356 3.181 2.962 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -28.614 12.835 -11.081 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -2.260 1.242 10.587 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 4.724 3.282 -0.111 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 4.345 -10.404 1.869 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -5.528 5.591 -16.832 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -3.369 -4.801 -0.992 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 5.417 -5.177 -21.705 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 -16.063 17.445 -0.657 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 3.395 5.000 -1.401 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 -8.098 -4.452 -7.339 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -24.530 -7.411 11.287 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 0.067 2.661 2.817 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 13.613 3.760 7.931 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 2.446 7.023 -11.887 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 1.009 3.877 -3.581 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 0.018 -0.949 3.366 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 -7.642 11.459 -11.612 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 -3.847 -0.603 1.737 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 4.239 -14.559 1.543 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 -18.542 -5.301 -6.680 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 -6.259 -8.476 5.482 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 6.415 -2.302 -4.337 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 5.507 -7.518 9.758 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 -6.892 3.371 -2.962 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 -3.938 -3.034 6.348 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 -10.412 3.189 -1.580 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -1.467 -0.512 0.285 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -5.474 -3.476 2.346 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -6.453 2.659 1.117 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 3.617 -5.647 -1.238 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 46.012 9.319 8.541 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -20.381 7.672 -15.578 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 -0.640 5.187 4.698 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 -1.780 -3.536 -18.421 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -0.866 -6.719 -2.120 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 1.311 -5.706 2.014 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -16.685 -5.288 4.122 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -0.915 -7.809 -0.033 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -1.110 -2.305 2.181 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -1.273 -26.110 -11.582 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 18.557 9.331 33.458 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 2.124 4.268 0.312 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 1.260 24.792 -3.196 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -5.239 3.330 16.309 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 2.269 6.067 2.873 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 31.196 14.370 -0.331 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 1.029 -2.205 -17.108 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 5.013 6.811 1.542 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 15.697 18.741 6.292 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -1.942 2.824 -8.295 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -0.027 2.047 -2.069 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 -3.092 14.171 -7.819 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 1.423 -10.169 1.210 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 3.919 -0.393 3.642 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -14.504 -5.471 -2.356 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 -6.123 -0.845 18.530 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 -2.903 -4.390 -3.137 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 5.087 -3.721 -2.962 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 0.895 -5.674 -7.261 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -1.688 -6.016 7.282 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 -7.571 -14.082 5.888 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 0.620 -4.467 3.834 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 0.065 7.745 1.314 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 0.180 -14.884 3.326 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 4.595 14.249 -26.295 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 2.210 -2.479 0.854 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -2.963 -19.003 5.771 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 21.622 11.966 2.475 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 1.317 1.864 -1.264 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 1.504 3.070 7.610 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 -2.299 8.878 -4.863 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -2.100 -7.456 1.138 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 -5.044 -28.481 -4.698 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 -9.594 -16.248 2.091 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 3.360 0.559 -0.439 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 3.432 -4.902 3.917 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 -6.977 -9.988 -0.849 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 2.586 -1.077 -4.529 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 12.771 11.711 11.409 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -13.357 9.535 -5.535 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 5.555 1.250 -4.240 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 6.456 5.960 -5.883 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 -1.683 -2.841 -8.268 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -2.556 -2.874 -0.846 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 -6.282 -11.025 -5.356 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -2.306 14.376 7.507 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 -1.370 -6.528 1.167 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 9.274 -15.533 -15.410 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 13.882 11.866 2.572 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 3.016 -2.885 -3.372 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 10.284 27.306 -0.129 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 -1.798 1.846 2.572 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -2.083 0.463 -0.081 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -10.264 1.548 1.960 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 0.252 -8.199 -2.041 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -5.972 1.518 2.373 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 -8.469 21.322 -0.007 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 16.759 -7.241 13.974 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 1.219 4.339 4.872 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 1.388 -9.290 0.172 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -3.890 3.554 18.633 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 4.596 1.182 -6.099 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 13.900 -27.097 -21.442 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 21.840 27.037 -11.853 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -1.415 -4.237 5.204 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 23.237 -8.138 -0.994 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 -7.665 5.876 -15.471 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 -4.579 -3.196 -4.973 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 -17.179 8.260 -19.609 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 10.210 8.863 -22.709 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 -0.502 -5.535 -1.805 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 -1.584 8.537 -2.290 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 -0.729 -14.114 -1.750 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 2.779 5.935 -4.761 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -6.030 8.879 3.831 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 2.759 8.549 -3.763 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -0.099 4.874 -2.507 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 2.870 8.804 -6.226 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 0.224 14.219 -24.166 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -4.882 0.663 0.770 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -3.651 15.269 -19.298 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 13.968 3.505 -6.556 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 1.965 -2.593 0.408 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 -2.412 5.626 -6.679 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 16.385 -7.086 7.028 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 0.214 9.023 -0.780 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -3.362 4.988 -13.813 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 6.504 0.262 1.978 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 -0.722 -0.039 6.166 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -1.118 3.497 12.935 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 -7.576 13.958 -17.600 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 2.630 -1.756 3.972 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 12.609 -6.251 -7.114 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -11.697 -8.617 -2.421 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 7.585 -4.723 4.036 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 5.267 0.276 1.447 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 14.543 -16.731 12.109 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -0.986 -0.285 0.203 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -1.769 -8.047 9.670 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -5.695 0.480 -11.329 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -2.469 -2.035 -3.064 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -21.190 -0.800 6.607 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 4.101 -4.323 -8.670 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -0.894 -1.343 -3.575 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 -16.290 -7.811 -16.164 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 7.557 -1.387 -2.137 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 -2.087 1.549 0.600 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 -6.304 -18.917 -7.544 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 -11.545 15.199 10.453 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 5.599 4.618 7.444 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 16.025 2.740 8.788 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 -14.025 14.935 2.110 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 4.790 0.206 6.508 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 -3.759 -2.709 2.853 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 8.546 -12.870 11.368 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 1.960 5.567 -4.632 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 9.310 14.555 -19.994 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 7.885 12.956 -14.934 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 7.457 7.422 -2.018 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 5.414 11.283 16.689 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -5.337 -7.510 -4.891 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 -3.051 -9.452 -2.120 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 1.048 3.188 -1.773 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 1.894 -9.876 -11.920 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 3.842 0.252 -4.660 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 9.185 -0.657 -8.654 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 4.006 -5.984 0.795 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 3.735 -0.126 0.131 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 -9.421 3.180 17.200 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 2.175 -2.458 -10.250 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 0.213 5.463 -2.190 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 -3.288 4.879 -0.939 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -15.431 5.303 17.551 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 -2.833 -3.445 -6.269 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 20.624 -2.718 -14.711 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -4.312 16.032 8.865 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 -2.106 8.093 2.282 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 -2.075 4.281 2.144 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -7.282 8.549 0.806 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 3.983 -1.954 1.925 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 3.659 1.783 0.342 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 5.705 13.974 -5.382 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 -3.665 1.033 3.774 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 -4.155 27.459 28.517 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 -0.318 -13.125 -7.734 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 3.719 2.224 -1.499 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -3.963 4.911 15.749 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 6.660 4.608 0.544 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 -1.838 6.264 -1.379 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 -12.733 -12.877 18.273 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 -12.481 -4.814 -3.230 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -0.334 -2.001 -1.242 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 13.895 -5.445 -11.592 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 2.286 7.663 -16.177 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -5.497 5.848 0.933 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -23.198 4.008 11.340 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 3.158 8.239 10.461 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 2.268 3.756 0.536 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 19.802 8.000 -1.554 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 -5.320 -0.065 0.394 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 2.692 -3.024 1.824 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 7.988 -11.925 5.960 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 -12.657 1.557 -4.623 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 1.145 0.632 2.484 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 -27.302 21.286 5.589 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 15.944 2.377 0.135 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -4.514 -3.544 0.745 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -4.523 6.426 -10.230 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -4.472 -5.696 11.290 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 -4.594 -1.700 2.012 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 9.387 -5.394 13.151 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 -14.132 -11.311 5.998 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 -2.772 3.294 0.502 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -4.854 -1.427 3.379 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 -5.701 2.870 -13.465 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -1.693 5.153 1.680 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 9.637 -14.878 -8.642 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 -18.408 18.107 -14.512 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 -5.930 2.076 7.950 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 -6.352 -2.522 19.058 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -3.037 16.106 -5.484 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 0.845 -1.509 -2.147 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 -3.642 24.185 -3.841 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 3.984 7.938 5.088 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 0.372 0.909 -3.496 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 3.117 -3.171 -9.627 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 13.512 -7.638 -20.377 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 3.909 -2.781 0.139 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 11.895 20.082 22.817 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 7.028 1.020 -8.677 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 4.735 -1.943 3.504 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -0.104 -14.468 28.283 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 0.440 -15.333 10.546 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 4.576 -1.269 0.621 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 -13.487 -1.467 -17.684 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 6.369 -14.870 -7.537 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 3.195 -0.478 -11.468 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -5.184 17.649 0.866 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 -0.918 -1.750 -11.196 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 -1.729 4.306 8.654 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 -9.787 4.710 -8.274 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 -0.618 -5.321 17.711 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 0.854 -0.213 -1.718 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 4.969 -8.566 -5.209 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 -13.944 -2.473 15.407 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 -5.231 -1.879 0.638 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 8.249 36.267 -6.544 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -6.748 -17.677 3.524 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -3.705 4.490 -3.511 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 15.123 -9.720 6.618 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -18.353 6.643 9.083 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -4.238 9.022 1.770 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 13.324 9.352 10.301 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 4.669 5.077 -8.833 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 -4.932 6.436 1.896 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -10.526 15.158 9.474 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 0.461 25.559 0.113 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 0.219 0.136 0.280 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 0.693 -1.367 9.146 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 3.284 -2.739 1.346 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 -3.548 -2.614 3.471 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -10.493 4.755 4.160 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 7.726 13.301 -3.618 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 0.086 2.577 -0.130 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 22.418 -2.329 -1.392 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 -29.301 10.335 0.630 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 -0.549 -3.150 -1.852 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -11.309 -12.562 7.694 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -16.026 -18.465 7.949 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 2.414 4.252 -1.201 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 2.726 3.359 -0.386 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 4.493 1.891 -0.337 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 6.538 -3.695 -3.046 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 -0.949 9.493 -4.553 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 18.439 0.171 -11.065 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 -1.235 -1.573 1.893 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 -22.056 5.722 -2.849 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 4.739 13.157 17.538 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 5.023 0.930 3.707 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 32.522 -17.288 22.330 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 5.336 5.055 3.813 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -2.018 -0.483 1.167 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -1.699 2.791 -0.126 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -1.482 -0.321 -1.684 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 3.541 -2.995 5.476 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 0.017 -0.075 -5.583 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 -20.641 -1.616 24.500 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -1.885 -8.034 -6.894 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 3.184 -7.906 0.515 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -0.247 -6.030 -3.295 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 1.230 4.071 5.075 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 15.955 28.208 -12.710 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 14.635 -12.490 -1.331 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 -4.143 2.600 3.154 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 -3.456 6.606 9.942 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 18.934 10.067 17.544 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 2.797 0.378 -2.678 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 14.064 3.913 -4.971 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 -6.535 -4.369 1.399 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 -3.745 -4.922 -0.204 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 0.349 -13.648 -7.290 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -3.130 0.620 9.081 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -9.557 -7.648 5.656 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 5.299 -11.052 8.175 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -12.236 -8.879 2.533 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -1.248 6.168 1.002 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 20.098 2.077 -8.010 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 -28.949 19.480 -12.267 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 1.304 4.709 6.723 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 0.362 5.942 6.174 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 15.374 17.274 9.659 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -1.225 2.080 4.773 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 1.067 -4.326 -3.396 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -8.511 5.921 0.969 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 -0.184 -5.154 -1.046 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 7.277 6.016 1.627 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 16.440 4.252 10.207 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 2.046 1.594 -1.326 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 9.970 9.495 -7.988 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 37.107 -8.112 -17.280 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 -2.810 -1.197 -1.759 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -6.718 -2.214 18.731 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 -1.817 -0.989 -8.949 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -1.639 1.342 0.263 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -0.776 -3.296 4.814 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 -11.118 1.569 7.330 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 -0.755 -6.414 0.420 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 7.212 -7.195 16.786 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 -3.197 -10.795 -2.869 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -2.696 -0.499 4.854 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -3.069 6.877 -5.079 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 4.333 -11.190 -1.114 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 -3.349 2.374 3.186 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 5.093 5.571 34.351 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -13.363 0.134 -21.468 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 -1.043 -3.080 5.796 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 -1.306 -2.220 -12.907 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 0.496 -5.584 36.285 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 0.764 -3.509 -0.710 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -0.716 -34.400 7.039 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -1.075 9.504 5.564 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 1.208 4.433 -7.035 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 2.001 25.821 5.890 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 25.970 -0.464 -10.843 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 3.926 1.337 1.434 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 -7.965 7.577 20.722 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 -10.932 -3.935 14.792 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 -2.495 -1.986 5.043 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 19.827 5.174 20.696 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 3.749 20.041 -1.734 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 0.409 5.850 -1.802 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 1.228 1.029 19.667 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 -0.486 4.558 6.256 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 3.255 -1.465 3.209 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 32.608 -2.354 -2.596 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 -3.075 -12.345 -26.621 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 -1.554 -0.086 -8.054 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 3.233 -1.537 -12.123 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 4.267 -10.188 5.191 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 3.489 3.078 3.133 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -15.282 13.936 23.291 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 2.597 -6.343 -5.836 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 3.167 -0.960 -1.809 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 -14.797 -6.599 1.646 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 15.033 3.490 -0.782 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 -7.778 -2.228 1.978 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 -1.186 1.621 -1.556 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 -0.773 -1.871 -2.076 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -1.343 -6.069 2.401 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 -3.558 14.240 3.058 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -2.568 13.643 4.386 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -2.576 -2.207 2.588 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 4.890 1.142 -15.250 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 -8.198 2.308 18.528 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 1.236 -0.122 -1.799 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 6.482 21.692 7.745 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 -1.394 -10.911 -7.382 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 7.122 -4.658 1.867 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 3.901 4.076 6.866 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 16.192 -1.478 -6.917 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 0.396 2.847 1.116 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -0.811 4.268 1.362 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 3.256 4.612 0.625 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -5.560 -0.758 -4.398 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -20.760 -1.851 -3.025 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 -4.354 -3.749 16.824 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 5.672 -1.406 7.430 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -0.912 3.687 5.314 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 1.021 21.462 -7.431 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 -0.748 -7.075 -9.081 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 9.920 -23.305 -11.422 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 -2.489 -19.622 -1.007 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -1.541 -1.296 4.601 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -2.705 -3.134 3.528 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 -4.925 -6.775 2.408 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 3.331 1.812 -2.266 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 7.742 -1.576 -11.209 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 -2.485 4.147 5.187 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 4.658 3.716 -6.404 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 14.974 27.817 -9.635 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 11.422 -27.789 -18.111 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 -2.774 4.677 -1.348 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -16.013 -11.793 14.805 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 9.288 5.220 -6.215 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 0.408 -5.385 -3.956 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -8.056 -6.491 -10.704 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 1.122 -4.241 -3.007 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 1.906 3.283 -5.066 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 -3.336 12.165 -8.523 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 5.645 4.013 0.273 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 -3.173 -1.252 4.704 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 1.863 29.302 2.208 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 -32.935 -3.640 9.930 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 -3.132 0.258 3.809 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 7.918 -2.087 5.250 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -5.822 2.695 -4.385 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 0.113 12.590 -2.238 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 21.756 6.984 -16.916 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 -6.921 10.694 -13.491 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 1.823 -1.808 -9.381 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 0.113 0.708 -20.634 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 8.444 -8.296 2.893 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 -5.195 -1.312 -2.988 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -0.945 0.972 7.117 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 4.080 20.840 -8.310 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 -7.907 2.271 1.523 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -12.162 -5.487 -11.833 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -22.903 12.756 7.843 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 -0.366 -0.553 3.829 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 -27.247 -17.881 12.834 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 29.123 0.422 -9.610 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 -2.563 1.719 -1.701 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 -13.767 -1.411 1.771 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 -2.788 13.033 -20.465 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 5.895 1.287 2.710 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 4.034 -12.651 1.800 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 4.512 13.042 1.978 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -1.277 2.066 3.346 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -6.976 28.566 11.408 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 18.073 12.845 14.760 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -4.373 -5.529 -3.323 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 4.787 -9.814 6.920 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 0.576 -8.897 -20.129 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 4.574 -1.041 -6.016 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 12.519 1.128 -19.803 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -1.001 -3.795 -1.661 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 -8.975 4.788 -6.999 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 -1.338 4.360 -3.363 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 6.030 -1.154 -2.588 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 6.634 -0.628 -0.800 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 0.873 -3.205 -9.672 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 12.273 4.302 -31.847 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -1.630 2.371 -10.805 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 -9.063 -20.132 -21.118 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -0.109 -1.413 13.984 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 0.054 -5.415 2.826 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -7.242 13.256 -5.375 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 -11.717 -11.588 17.474 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 2.553 0.939 -2.466 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 16.196 8.726 -9.489 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -2.888 -16.146 -6.810 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -2.377 -2.232 -1.593 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 14.163 11.016 -14.004 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 19.374 -9.484 11.888 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 5.654 0.648 -2.206 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 6.586 20.497 17.181 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 -17.686 2.363 3.600 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 0.576 -1.203 0.402 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 -5.391 5.863 -14.664 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -9.147 -5.979 -9.282 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 0.316 -0.834 -4.745 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -4.938 3.156 -1.893 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 -1.390 9.133 -0.288 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 -5.013 3.485 5.255 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 -6.012 2.695 4.232 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -22.358 -15.730 -14.684 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 -2.097 5.376 -5.291 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 -0.509 9.682 -12.490 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -1.883 -4.950 6.330 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -0.677 3.207 4.751 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 15.001 2.528 9.976 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 -19.274 -4.306 -4.335 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 6.594 4.519 0.956 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 -1.135 -6.680 3.871 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 5.755 4.662 7.338 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -1.864 -1.979 -6.273 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 1.470 -2.177 5.175 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 -22.583 -10.205 -16.894 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 5.746 0.340 0.954 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 2.832 8.255 13.118 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 27.648 -2.561 6.677 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -4.346 -3.653 -4.803 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -12.821 7.335 -4.270 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -13.079 -13.245 1.272 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 -0.435 1.362 0.581 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 8.490 -8.912 -16.741 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 -5.998 -8.534 16.709 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 5.595 5.676 -1.727 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 1.142 13.631 22.121 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -8.676 1.869 -0.919 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 1.637 -5.537 5.133 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 -5.310 -5.275 11.248 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 2.584 -1.913 -17.639 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 1.986 4.855 0.063 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -1.489 0.078 -0.131 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -10.520 -11.170 6.765 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 2.388 7.686 -1.321 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 5.056 13.442 10.474 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -3.569 -0.044 1.973 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 -0.411 2.500 6.829 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 -4.158 -12.491 -6.349 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 5.294 6.479 -7.910 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -1.644 -0.815 4.971 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 1.420 -15.115 4.406 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -13.982 -9.208 4.082 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 2.892 -0.252 4.285 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 27.102 -19.794 -19.510 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 4.359 15.432 -15.211 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 1.668 -1.181 2.543 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 19.305 22.485 -6.922 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 -13.088 1.919 20.856 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -2.501 10.818 7.028 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 9.524 21.210 12.564 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 1.639 32.163 13.843 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -1.989 -3.409 -0.683 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 -9.105 -6.329 -8.768 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -5.983 -9.214 8.806 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 2.343 0.003 -3.902 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 -2.716 3.256 -11.417 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 43.459 -9.108 -1.326 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 -2.820 0.438 -2.188 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 -6.262 0.668 -15.464 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -16.153 -6.168 11.108 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 1.772 0.702 1.172 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -2.002 -13.045 -9.871 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 -1.688 11.586 -16.942 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 -4.516 6.666 1.137 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 -2.221 14.007 -19.161 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 16.941 -13.060 -20.387 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -2.248 -0.209 -4.157 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 -10.835 -5.818 2.709 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 -15.421 -2.441 2.503 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 0.937 1.291 2.496 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 4.588 3.025 1.546 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 -1.311 1.536 1.443 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 -2.035 15.583 1.507 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 2.400 5.241 -7.943 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 5.986 15.576 8.998 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 0.279 -0.214 -1.868 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 -3.650 -9.812 -11.969 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 13.017 0.372 4.772 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 3.936 -10.656 2.830 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 1.204 -5.752 -1.463 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 0.482 -5.483 -1.247 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 -0.658 5.264 1.627 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 4.440 11.161 -20.872 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 -16.881 21.776 8.743 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 -9.822 0.792 5.864 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 -3.459 -6.754 15.964 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 -8.492 -16.033 -14.982 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -5.962 0.968 -0.687 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 6.721 14.292 2.279 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 4.155 -5.235 3.578 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 7.585 2.036 -1.130 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 23.262 -8.338 -7.918 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -19.628 6.183 4.526 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -0.403 -8.848 -3.787 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 3.607 -26.459 -12.481 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 28.200 1.848 6.003 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 -3.502 3.372 -3.064 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 2.633 13.129 -1.231 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 -8.612 -0.267 0.368 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 5.469 -0.606 3.532 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -12.432 4.333 49.714 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 -43.361 -18.835 -6.047 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 2.414 6.435 -3.382 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 -12.319 -15.878 2.754 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 13.275 -9.738 10.177 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 -3.181 2.827 -3.606 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -9.788 7.730 11.856 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 15.931 3.075 3.624 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 -6.098 -0.260 2.394 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -0.462 -15.533 -14.959 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 -8.683 -1.295 -2.765 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 -2.914 -4.605 -1.134 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 -12.751 -20.915 -11.142 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 -4.788 8.886 -8.695 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -2.479 -3.388 -3.398 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -17.122 23.958 20.691 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 0.455 -7.078 -2.004 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 5.036 -2.387 -3.920 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -5.876 0.493 -8.064 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 1.154 0.710 -3.921 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -3.383 -6.674 0.518 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 -13.230 -11.564 -1.083 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 3.741 -6.172 12.502 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 -5.722 -2.614 3.808 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -6.196 9.526 11.824 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 -1.565 2.553 -11.280 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 3.590 4.609 1.730 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 7.617 -13.522 10.725 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -4.720 3.208 0.255 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -2.395 2.241 6.069 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 -2.560 -10.967 13.628 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -3.937 4.000 22.563 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 2.994 5.806 -1.603 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 7.795 12.671 -2.144 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 1.488 8.045 3.200 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 3.656 -4.104 -2.266 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 11.966 9.458 18.089 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 3.679 -28.049 6.435 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 -6.378 8.926 -1.327 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 -5.149 2.129 -9.677 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -6.020 21.275 2.210 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 1.843 0.898 1.228 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -18.427 17.114 1.004 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -19.978 5.131 -23.009 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -2.546 1.840 2.861 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -22.513 -2.959 -13.563 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 0.776 -8.865 16.588 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 1.489 1.092 -2.048 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 1.364 -4.602 2.922 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 8.704 0.883 -3.903 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -7.449 0.212 8.286 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 -3.572 2.259 -5.071 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -6.960 0.283 9.161 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 6.895 -3.763 4.716 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 24.560 -4.067 6.854 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 -0.860 4.084 -9.910 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -2.753 0.859 2.767 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 -1.412 1.358 0.119 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -1.950 -7.302 -0.791 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 6.556 3.807 -4.574 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 6.851 0.040 -12.402 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -2.513 -0.862 -4.033 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -0.417 -0.289 8.417 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 1.715 3.147 7.312 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -5.627 -1.482 -1.237 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 1.022 -2.741 10.053 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 0.156 -0.023 4.972 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 8.260 6.847 -30.592 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 8.298 2.114 -4.733 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -13.007 14.594 -19.508 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -23.043 18.690 -7.926 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -0.254 -3.152 5.620 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 4.559 -10.516 -8.078 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 4.189 12.585 -2.551 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 3.232 -3.816 -0.087 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 1.957 -10.899 14.005 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -13.076 4.147 2.987 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 -2.823 -0.113 3.379 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 -6.832 -11.742 -6.265 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 3.573 8.859 -3.512 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 3.036 2.443 -2.230 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 6.973 -9.881 -6.878 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -5.327 -1.763 -3.363 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 7.226 5.229 0.755 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -4.666 -0.551 -0.790 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 7.249 8.787 1.565 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 3.631 -2.787 -1.302 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 9.902 5.745 17.766 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 13.600 -1.089 1.173 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 -2.721 0.503 -5.804 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -9.281 12.461 1.528 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 8.592 0.355 -14.349 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -0.193 0.255 4.045 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -2.790 -6.000 1.546 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 19.987 7.490 16.864 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 2.265 -2.102 -3.473 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 4.063 -5.054 -24.658 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -3.470 1.678 6.245 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -0.459 -7.649 0.334 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -4.853 -3.079 -6.633 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 -12.440 5.185 -9.579 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 5.722 -1.611 -0.088 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -16.602 17.569 -7.419 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -8.440 3.841 12.785 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 -1.128 2.667 5.167 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 3.666 -3.079 -5.977 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 3.960 20.941 -8.150 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 0.819 -0.012 -6.874 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -19.357 -4.496 23.542 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 3.432 -2.676 -6.169 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 -7.953 -0.134 -0.780 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 0.419 -7.297 21.261 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 2.508 -4.106 17.086 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 -1.010 -5.186 2.825 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 0.715 -3.707 -20.517 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 16.914 -15.091 17.866 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 4.378 -5.591 0.808 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 6.186 -18.015 7.083 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 9.238 -22.944 8.970 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -1.056 7.387 3.458 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 12.829 -1.009 -3.629 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -2.966 -6.644 28.494 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 -2.127 -0.714 4.591 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 10.473 -18.466 9.590 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 -4.962 18.470 4.436 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 2.394 -2.797 -1.727 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 -0.531 -6.987 -22.283 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 -2.615 -18.256 -38.608 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 2.844 5.946 -3.195 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -1.596 12.883 -9.099 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -2.631 20.493 2.402 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 1.990 -1.649 2.047 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 0.650 -2.398 5.264 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 -3.564 -6.836 0.776 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -5.554 2.724 1.182 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 4.623 20.235 5.297 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -6.403 -13.977 -30.328 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -1.361 5.343 3.247 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 3.253 1.985 -7.743 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 8.571 12.004 9.695 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -3.161 -2.214 2.910 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -10.262 -3.122 -5.536 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -15.591 14.307 -21.215 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 7.858 -6.581 -6.292 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 18.318 -12.309 7.324 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 11.053 11.366 -7.930 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 2.832 0.216 -5.963 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 4.861 -6.239 -3.464 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 5.131 -10.277 -1.448 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -3.475 -8.347 0.025 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 9.485 -3.844 4.133 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 15.935 -2.714 7.223 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 2.292 0.582 -2.983 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -19.080 -8.627 4.445 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 -3.220 10.018 6.520 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 -5.341 3.543 0.346 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 16.596 -9.026 -3.248 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 9.234 8.592 2.511 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -2.172 10.413 2.243 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 5.163 16.321 -6.015 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 -16.556 7.141 -5.071 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 1.699 -2.393 -9.782 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 7.963 11.254 10.683 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 -10.383 -24.267 2.234 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 6.261 6.679 -9.062 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -0.408 16.819 -14.649 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 -2.091 20.937 -15.556 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 2.197 -3.503 -0.753 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -15.451 -9.390 -2.730 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 -2.283 -2.353 -1.449 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 3.106 -0.896 -2.025 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 -0.979 -18.926 -22.222 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -11.638 -10.013 -17.825 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -1.881 -3.866 -4.186 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 0.060 -8.742 -1.671 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 4.527 -22.204 -20.205 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 -4.947 -7.494 -8.354 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 1.322 -5.002 -10.168 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 16.740 1.123 12.264 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -3.740 5.627 -6.463 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -5.547 23.716 -1.175 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 -4.058 10.774 -18.203 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 1.071 4.294 -3.063 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 7.805 4.011 -4.514 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -5.777 1.349 -2.754 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 4.958 -9.103 -4.230 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 4.564 -8.452 -5.568 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 8.081 -9.459 -6.152 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 0.482 6.595 -4.284 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -8.757 -22.618 -27.190 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 -7.109 -5.420 -18.750 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 5.029 -2.967 0.013 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -2.490 10.198 -3.741 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 28.363 -4.222 -21.659 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 2.672 3.829 -4.796 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 17.606 8.435 2.889 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -1.282 16.094 -3.357 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 -4.763 1.557 -2.721 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 1.836 0.873 -2.784 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 -32.644 4.289 -12.901 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 4.516 -3.748 2.362 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 6.802 -16.393 0.866 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 5.385 5.379 6.295 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -2.750 4.385 2.049 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 7.976 3.923 2.562 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 1.674 5.509 6.505 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -4.131 -2.875 -4.160 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 13.528 0.039 -17.965 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 2.767 -0.978 14.293 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -2.125 -3.871 -2.086 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 10.793 -0.247 12.096 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -22.978 -10.218 7.462 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 0.576 0.495 3.833 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 11.824 -18.897 8.668 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 3.808 -30.325 10.095 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 -0.097 -4.232 2.715 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -1.587 -0.730 6.120 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 -1.412 -4.521 2.930 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 2.483 2.428 0.596 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 23.904 7.092 1.432 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 3.695 -10.121 -0.532 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 -2.645 -2.302 2.717 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 0.055 0.795 -7.720 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -5.446 -4.712 14.355 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 8.217 3.493 0.102 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 11.939 14.701 -2.938 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 12.349 -10.879 9.299 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 2.725 1.751 -4.411 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 2.439 -5.274 -6.921 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 10.043 4.460 -2.853 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 -0.550 0.412 -0.034 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 -17.559 -13.149 -2.486 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 10.878 -4.688 -11.735 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 2.896 2.747 7.054 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 9.832 20.116 3.872 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 -11.712 -3.718 -8.595 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 1.828 1.598 1.251 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 4.731 -0.642 0.021 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 3.852 -21.366 5.379 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 -0.859 3.060 -2.759 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 6.236 4.497 4.961 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 -0.773 1.848 -8.024 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 2.407 0.389 2.933 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 3.333 5.626 27.704 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 18.720 -34.158 -11.130 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 1.926 6.224 -2.276 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 3.237 -0.490 -1.385 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 4.123 2.527 1.631 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -0.498 1.818 3.982 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 10.973 7.117 20.351 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 10.772 19.515 -15.460 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 -2.068 2.746 -0.937 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 -4.196 0.584 17.804 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 -10.791 2.670 -8.884 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 -0.347 -9.890 4.353 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -14.714 3.580 7.442 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 12.503 -5.862 16.687 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 1.463 0.559 7.215 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -1.345 3.993 -2.104 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 -10.578 0.171 15.689 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -1.235 -5.663 1.435 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 -20.062 15.911 22.327 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -0.829 24.581 -1.718 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 -6.855 -0.613 -0.266 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 5.810 -0.498 -7.366 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -14.392 0.171 4.931 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 4.645 0.691 0.768 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -17.192 -19.305 14.285 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -11.136 -8.293 24.334 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 3.571 -1.186 -2.544 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 23.026 17.467 -35.057 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 7.041 -6.427 1.546 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -4.791 -0.394 -5.967 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 -19.785 14.067 11.860 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -4.985 0.939 29.910 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 -4.154 -0.341 3.151 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 -4.314 3.246 2.399 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -8.278 1.244 7.740 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 3.822 0.506 -2.320 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 2.747 -25.943 -8.995 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 1.608 6.055 -3.796 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 2.938 0.729 0.677 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 -5.796 -2.753 -5.245 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 1.938 4.282 -14.591 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -11.202 -1.562 0.617 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 14.474 -9.142 0.810 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -8.488 22.770 -4.151 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -4.168 3.463 -0.535 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -16.940 -4.740 -7.738 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 -6.788 1.905 -2.352 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 0.376 -11.591 -0.765 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 2.209 -9.585 -0.295 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 -4.478 -17.560 -0.580 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 -3.773 4.519 4.587 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 0.700 0.824 1.865 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 26.030 22.210 -21.055 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 0.521 -1.261 4.495 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -17.447 -18.577 -4.425 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 2.952 1.062 5.262 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 5.040 -6.005 0.205 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 5.899 -8.521 12.362 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 1.876 -7.593 17.917 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 -0.200 1.399 8.986 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -1.802 2.047 13.722 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -2.367 1.669 13.660 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -0.484 -2.932 -5.056 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 19.621 0.618 10.369 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 -15.097 13.580 -7.730 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 2.212 6.680 -2.560 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 11.573 12.809 -2.168 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 14.099 -0.255 -4.036 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 -1.705 0.638 4.581 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 2.236 -5.123 5.667 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -0.742 -9.232 -14.850 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 3.346 1.685 1.134 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 0.255 22.896 21.805 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 -0.427 -10.675 -15.514 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 0.491 -7.851 2.816 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 3.416 -14.477 0.218 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 2.973 0.259 1.913 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 0.508 0.386 -0.574 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 22.825 -8.799 -1.073 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 1.805 -31.971 10.630 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 5.175 8.187 1.647 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 -12.162 -2.654 11.540 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 12.165 1.706 21.449 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -12.302 -11.408 3.577 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 -9.467 1.680 -12.316 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -12.039 -16.636 6.039 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -4.892 -0.259 4.636 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 -3.042 -5.351 10.463 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 0.676 -6.531 4.705 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 1.267 8.417 2.333 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -14.291 1.821 0.955 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 8.316 2.133 12.055 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 2.610 -2.209 -1.640 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 2.901 7.602 2.080 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 0.691 6.588 -0.119 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 -5.523 3.306 3.020 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 -33.260 14.961 -10.528 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 -11.673 -6.848 -2.457 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 2.627 -3.452 -0.946 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 18.892 -1.751 8.858 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 -1.269 0.792 -2.776 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 3.880 4.819 -1.718 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 2.271 3.529 6.656 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 6.456 9.521 -2.165 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 0.559 -5.450 0.040 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 5.171 -6.180 -2.421 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 2.015 -5.113 17.397 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -5.566 -2.150 5.198 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 10.297 7.240 -6.387 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 4.459 5.756 -20.680 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -2.471 4.203 4.506 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 3.262 5.072 4.874 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -5.734 5.187 4.623 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 -4.263 1.410 -2.451 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 -12.871 4.495 -12.340 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 -2.304 -2.081 -5.813 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 -8.778 1.160 0.490 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 -8.949 7.863 -0.457 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 -8.645 15.390 -0.526 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -0.773 4.076 1.258 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -16.996 15.595 13.885 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -15.554 10.071 23.129 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 -7.375 -4.007 -5.745 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -6.416 -1.069 -2.018 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 3.477 5.152 17.130 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 -0.900 -2.138 0.025 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 -13.209 8.472 1.262 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 0.158 5.659 15.755 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -1.927 0.049 -3.095 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -6.545 5.407 -3.186 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 14.082 -10.293 -4.974 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 0.962 -0.051 2.012 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 3.945 -9.342 1.769 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 -19.099 8.072 8.276 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -0.161 0.417 -2.499 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 -1.952 -4.701 -5.213 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -0.130 1.515 0.272 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 4.010 -1.303 -6.456 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 17.155 -21.706 -10.092 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -2.247 -21.044 -5.993 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 0.510 7.073 2.142 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 10.687 -15.079 3.057 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 11.033 -13.049 -9.505 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 0.292 3.768 -4.631 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -2.251 0.368 -7.743 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 12.229 7.195 -26.514 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 0.086 2.092 -2.021 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 4.567 11.414 -28.744 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 0.660 -0.201 -33.302 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -5.169 7.281 4.699 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 -16.870 -3.458 -4.650 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 2.184 10.355 15.957 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -9.633 -0.379 -3.811 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -5.233 -12.959 -19.928 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -9.293 0.672 -1.979 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -2.166 0.636 -0.749 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -7.326 4.937 28.161 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -20.447 19.391 -1.729 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -8.557 -3.829 -0.837 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -10.710 -9.499 0.938 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -1.869 -0.486 -14.267 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 2.184 2.413 5.079 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 6.404 -5.568 8.677 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 2.166 4.044 7.756 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 -3.363 1.997 0.088 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 -6.110 16.151 8.271 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 3.060 17.032 -7.347 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -0.689 -2.111 -1.042 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 8.691 2.642 2.505 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 14.605 -10.650 -1.577 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -3.900 8.813 -4.153 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 5.198 11.786 -9.012 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 -3.687 -1.009 -7.725 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 0.613 0.318 -6.922 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 14.313 6.402 -13.078 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 6.581 15.155 5.611 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 -6.507 -1.295 -3.775 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 0.379 4.443 -10.203 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 -5.913 2.135 4.275 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 4.221 1.834 3.659 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -13.027 5.930 -12.615 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 5.733 6.179 4.331 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 -0.771 -1.610 2.030 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -17.715 -0.777 9.131 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -5.845 5.275 8.312 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -7.577 1.065 -2.861 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -9.130 11.005 11.182 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 17.802 -18.050 -5.231 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 4.575 1.045 -1.167 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 4.318 -3.715 -7.200 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -0.844 -0.686 13.756 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 2.713 3.376 -1.638 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 5.769 -2.821 16.055 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 3.013 1.291 -18.017 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 0.617 1.587 -3.961 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -15.624 -0.768 6.298 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 -0.868 2.197 10.681 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -2.336 1.107 2.975 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 7.006 13.126 0.010 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -20.547 10.367 5.284 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 3.912 0.233 8.240 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 -10.595 4.487 -5.922 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 -17.675 7.555 -36.050 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -2.529 -1.446 -2.044 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 -3.151 -20.062 9.398 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -5.241 0.071 -4.652 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -2.452 5.096 -2.238 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 16.751 25.247 35.727 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 5.809 30.996 15.804 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 4.186 0.135 2.961 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 6.026 -0.523 5.110 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 -25.357 13.399 -23.170 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 5.190 -2.277 4.022 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 11.337 -0.850 5.473 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -0.850 -9.133 4.732 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -5.229 4.562 -0.957 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -5.820 -3.792 -13.878 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -5.373 5.416 -7.593 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 -1.137 -5.134 -0.848 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 -2.582 -11.380 -1.394 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 1.767 11.122 2.317 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 1.232 1.203 2.620 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 12.230 0.180 -7.157 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 0.014 1.160 4.156 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 2.765 0.087 4.195 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -15.602 4.599 2.505 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 12.260 -18.666 -15.952 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 2.465 2.194 2.522 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -12.313 3.594 -3.070 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -5.538 -25.738 -17.735 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -2.600 10.198 -4.728 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 -10.173 9.975 22.514 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -7.353 13.046 -14.280 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -5.881 -0.954 3.215 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 -14.011 -0.886 -19.226 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 9.937 14.970 1.016 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -7.436 -3.855 0.788 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 -7.106 -16.343 14.571 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -5.459 8.064 5.237 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 -5.458 -3.292 -1.082 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -8.654 3.984 -5.214 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 15.686 -5.368 14.447 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 8.999 -0.681 2.466 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 9.610 -21.718 -7.581 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 -21.318 4.542 -0.477 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -1.132 2.295 -3.836 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 -3.732 2.703 -16.777 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 15.359 10.669 -25.951 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 -5.162 -1.075 4.695 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -3.964 9.377 3.291 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 -7.142 -4.936 -2.406 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 -1.170 -1.757 8.982 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 13.723 2.681 30.047 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 -24.890 3.821 17.286 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 0.901 -3.568 -8.526 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 -8.823 -9.556 -8.753 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 8.741 6.624 16.559 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 2.592 -1.665 -1.394 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 5.669 -11.450 12.722 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -10.050 -5.921 7.410 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 -0.174 1.521 -2.738 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -10.614 1.377 16.030 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 -1.202 -2.074 -3.675 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 1.011 10.491 0.878 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 21.111 15.911 -17.185 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 3.656 -6.208 -17.835 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 1.909 1.449 -2.297 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 22.766 7.078 11.565 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 13.295 4.814 6.739 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -4.589 4.235 7.669 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 1.787 5.205 7.055 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -4.894 -4.580 5.261 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 8.729 1.466 -3.927 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -3.540 11.004 -11.013 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 6.621 -2.028 -13.208 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 4.249 0.116 0.835 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 0.292 -2.912 2.957 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 6.998 8.733 6.244 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 3.606 -2.792 -7.255 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 -4.324 -10.653 7.041 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -9.156 -13.002 14.533 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 0.928 0.747 1.727 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 6.125 7.201 0.254 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 1.438 -15.168 -6.968 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 1.285 3.399 -6.582 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -0.678 13.391 -2.383 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 10.459 -0.719 -9.259 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -4.743 -0.304 -3.670 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -15.985 -5.594 -22.129 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 13.865 8.346 27.170 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -0.256 -6.042 6.004 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 2.815 5.595 -3.471 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 -8.561 -16.058 -2.343 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 5.444 1.575 2.306 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 7.448 3.159 2.329 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -24.963 -21.140 2.692 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 3.002 -1.135 2.950 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -2.442 -14.574 -1.867 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -5.786 -12.362 -8.832 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 -0.351 2.749 6.013 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 10.109 6.922 5.457 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 9.927 13.213 6.021 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 -5.286 4.188 -5.362 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 -1.945 -8.166 -8.224 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 -14.987 9.533 -15.062 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -1.225 -5.850 -2.983 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 1.205 5.256 -3.302 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -20.994 -28.383 2.222 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 5.397 -0.661 -4.701 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 22.874 -13.701 -5.650 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -8.029 -10.484 7.737 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 8.436 -4.950 -5.218 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 15.829 2.007 -5.366 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 -9.775 9.007 20.933 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 1.314 -0.484 -3.300 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 5.442 -5.032 -0.707 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -4.185 9.588 5.376 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 -0.354 1.559 1.598 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 10.399 -13.318 3.237 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 6.712 14.506 16.619 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 -5.227 -3.432 -6.113 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -13.636 -0.454 -4.068 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 8.902 -16.815 -8.548 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -3.855 2.009 3.179 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 1.853 8.461 11.457 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 13.873 -8.949 1.075 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -4.644 -3.997 -9.635 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 -19.609 -7.139 -15.983 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 10.780 -6.228 -4.997 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -5.765 -2.431 5.668 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 -11.818 16.560 10.823 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -18.231 -14.766 -0.810 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 1.012 -4.809 -2.214 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 -1.122 -4.047 -7.084 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 6.035 -19.718 -3.518 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 3.421 0.102 1.309 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 5.783 1.242 1.538 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -2.432 -7.105 2.002 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 0.389 -5.089 1.695 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 2.304 -6.575 3.590 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 -9.351 16.851 -3.777 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 1.307 3.549 0.961 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 3.822 -7.858 5.959 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -2.976 7.933 8.970 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 3.925 1.359 -0.090 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 16.286 -15.376 5.921 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -4.501 -9.273 -4.368 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 -1.040 0.431 -5.449 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 -4.724 5.401 -23.030 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 4.822 -24.287 7.292 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 1.993 -0.805 -0.024 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -2.808 -15.219 10.957 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 1.274 -6.449 7.384 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -7.205 0.756 -1.359 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -23.946 -0.295 10.897 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -10.125 -0.840 -22.831 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -1.691 1.123 -3.793 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 4.055 27.133 -22.877 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 21.673 -19.799 -8.455 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -6.898 -1.252 -4.522 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 -7.401 -7.936 13.010 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -14.577 -0.798 -22.328 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 6.140 0.716 1.319 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 14.394 15.892 2.234 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 16.038 -1.605 2.570 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 -2.240 2.227 -1.144 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -8.721 -10.697 -10.963 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 5.446 18.516 9.751 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 1.623 1.264 9.638 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 -1.273 5.097 19.952 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 13.921 8.356 6.992 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -5.350 -2.926 5.612 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 9.812 16.800 -4.093 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 15.182 -10.596 -23.025 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 -1.556 0.631 4.219 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 -9.829 6.126 2.143 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -18.080 23.298 -0.516 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 -9.746 0.225 1.367 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 4.955 6.473 0.537 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -14.197 -0.779 1.019 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 5.514 -4.342 1.121 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 -9.734 -2.010 -12.805 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 10.649 -0.711 0.872 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 0.481 5.477 -3.033 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 11.161 -6.658 -20.135 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 0.819 12.846 -2.635 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 2.433 -4.246 -2.146 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 1.008 10.174 16.941 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -2.992 -11.401 -5.987 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 -2.238 5.584 -0.923 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 21.698 8.752 11.858 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -0.038 -1.334 0.171 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -0.276 -1.409 -0.911 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 5.012 -13.957 5.093 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 10.911 -12.330 12.634 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 -4.722 5.171 -2.356 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 14.899 13.699 9.859 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -9.698 4.439 10.919 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -4.664 0.628 0.609 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 19.257 0.795 3.965 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 13.500 -0.505 1.099 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 -0.711 -1.287 1.173 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 -9.571 12.559 -4.187 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -5.095 9.749 -8.697 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 -3.714 -2.971 -0.461 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 -23.936 9.152 6.349 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 6.377 -12.344 0.931 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 7.486 -2.839 5.983 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 2.166 -19.664 21.192 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -20.704 -10.266 10.220 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -3.545 -5.056 2.710 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -8.961 -1.467 7.701 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 4.606 -2.653 -10.762 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 -6.542 -4.121 1.915 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 -15.577 -3.469 0.145 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 -10.750 -3.749 1.062 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 -1.521 5.181 -4.356 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 5.943 2.517 -27.666 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 6.445 -13.894 4.971 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 0.941 2.951 5.221 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 14.785 -0.952 12.395 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -11.912 3.370 -1.477 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 3.102 4.358 4.524 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 0.739 -2.114 5.329 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 1.843 -15.881 0.684 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 -5.129 1.748 -3.417 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 -1.222 0.124 -5.831 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 6.853 1.710 8.781 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 0.609 -2.787 -2.826 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 2.503 -8.561 -4.709 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 3.911 -5.312 -9.774 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 0.132 1.535 -2.205 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -6.622 19.032 -23.569 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 17.120 -13.305 7.343 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 1.513 -1.994 -0.603 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 7.377 -7.311 7.396 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 16.761 -13.710 17.659 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 0.369 0.027 5.290 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 0.603 2.310 0.317 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 8.092 6.312 -24.088 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -2.336 -5.493 -1.661 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -5.266 -15.963 16.418 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 2.429 8.316 5.267 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -2.484 3.038 -1.325 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 0.791 -11.697 -1.920 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 37.640 19.359 -8.940 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 0.733 2.945 -0.920 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -12.653 14.413 -3.801 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 14.261 14.028 -3.005 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -1.314 3.827 6.029 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 33.352 -10.356 3.335 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 12.143 20.463 4.909 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 3.697 -0.686 -2.542 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 20.665 -14.741 -5.369 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 21.177 15.121 -14.775 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 4.837 2.774 -1.657 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 1.556 -5.376 2.838 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 -22.989 -16.454 9.523 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 7.569 -0.038 2.317 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 -24.828 11.320 1.853 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -21.468 -20.969 -15.769 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 -2.178 1.377 0.130 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 4.395 9.303 -1.037 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -15.136 -3.074 8.807 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -1.403 1.992 -0.405 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 0.493 0.615 -0.464 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 1.917 -2.584 1.320 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -0.544 5.621 0.191 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -25.444 -5.769 -3.790 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 14.757 -15.602 -8.392 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -1.822 -1.540 3.733 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -6.812 2.879 -1.739 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 2.746 5.438 9.115 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 -2.208 1.596 6.961 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 7.167 2.252 -2.890 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -13.069 2.816 16.083 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -1.363 6.820 0.032 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 3.051 1.528 -12.301 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 4.990 12.909 16.273 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 -2.722 4.773 4.444 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 26.499 3.254 4.002 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 0.228 4.459 4.698 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 -5.748 -2.087 -0.977 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 -8.750 -10.842 -0.222 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 1.373 0.357 6.443 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 1.210 -2.967 3.283 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -9.439 -6.046 3.353 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 13.249 -20.220 5.653 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 -2.056 1.008 0.312 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 -1.898 -2.350 2.014 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 4.561 -19.008 14.674 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -3.392 -2.230 -0.341 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -6.425 4.306 6.530 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 16.977 -11.314 -25.629 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 -0.459 -6.600 4.578 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 -10.769 -14.825 6.077 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 -14.177 -4.913 10.375 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 4.111 -4.128 -9.586 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 11.768 -6.726 10.743 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 16.216 -21.728 -23.566 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 -1.641 2.106 -5.935 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 -24.124 -21.925 7.280 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 7.992 16.464 -1.944 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 2.364 4.332 4.976 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 24.059 -14.537 -15.953 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 16.947 -13.699 -12.263 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -0.469 -3.033 1.384 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 2.406 -7.763 -15.442 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 -11.328 6.506 15.723 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -3.298 -5.978 -1.703 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 2.424 -7.357 1.974 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -14.427 -1.781 2.212 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 2.888 0.158 -4.399 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 6.524 11.504 -4.861 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 2.458 -1.444 1.841 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 2.182 2.296 -7.503 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 25.756 -18.013 6.639 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 10.312 2.563 -8.506 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 -0.044 -1.508 3.512 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -15.362 -0.580 5.812 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 7.462 -4.258 -4.343 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 -6.235 1.270 -2.602 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 7.859 7.775 1.140 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 9.025 -34.041 -24.191 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 2.924 -5.467 0.193 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -6.830 7.289 -3.141 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 7.116 -15.056 7.050 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 1.845 -6.617 0.721 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 -1.881 -7.671 -1.983 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 1.677 -10.939 2.599 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 -2.936 1.693 -4.230 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 6.781 4.333 10.838 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 15.339 -8.836 -5.465 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -3.685 1.123 -1.277 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 -11.681 -16.881 -15.235 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 -11.981 16.791 -15.112 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 -9.293 0.721 -4.751 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 7.902 6.147 -7.013 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -3.945 -3.334 -7.169 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 1.838 -2.145 -6.314 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 -23.095 4.117 0.993 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 4.262 -8.364 -6.085 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 5.728 0.197 -4.100 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -3.467 8.261 9.168 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 13.508 7.227 0.504 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 8.161 -0.232 0.844 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 -4.816 2.328 12.826 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 8.430 -8.707 -23.132 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 -3.252 1.238 -2.144 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 16.875 -12.523 -1.101 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 -12.853 6.375 7.557 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 -0.479 1.794 -1.322 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -12.926 5.413 -4.686 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 13.686 -3.658 3.128 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 0.949 -1.552 -2.614 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 20.412 14.413 -11.033 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 -1.665 9.897 19.744 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 -3.004 -4.214 4.669 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 5.499 9.111 -6.406 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 25.702 23.609 -13.038 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 -0.238 1.757 0.713 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 1.728 10.329 -10.767 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 11.434 -16.032 17.080 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -1.547 -4.593 0.530 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 -3.419 3.345 0.650 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 2.538 -4.540 0.481 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -2.978 -4.495 -5.172 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 4.762 -8.725 -12.903 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -10.467 4.413 -5.571 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 2.463 -4.546 5.009 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -8.367 -11.781 9.940 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 -0.730 4.362 -2.237 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 -3.849 4.425 -2.114 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 8.524 -11.162 9.415 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 0.549 5.586 -3.833 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 0.105 0.181 1.064 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 -1.892 12.812 -10.824 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 -15.255 2.108 -2.156 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -1.576 -2.653 5.121 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -4.782 7.138 -9.158 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 -3.808 10.688 4.627 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -1.642 -4.239 8.559 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 -32.049 -1.015 -7.683 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 1.305 10.753 -14.851 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 -1.038 7.749 4.326 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 5.697 0.018 1.341 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -13.427 7.645 9.018 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 1.591 -5.596 5.185 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -13.989 7.014 9.424 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 -0.320 -11.984 2.233 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 5.749 -6.143 4.447 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 5.294 -0.246 6.588 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 3.387 -33.047 13.955 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 -3.468 -1.810 6.667 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 15.413 -5.090 18.514 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -8.000 -14.051 1.133 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -4.563 -1.091 0.342 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 0.922 -2.021 24.970 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -19.572 -2.976 -4.589 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 6.998 -5.353 -1.893 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 5.047 16.512 5.625 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 -7.879 1.557 -14.411 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 -4.236 -0.735 1.268 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -5.960 -9.400 -0.868 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -16.313 0.744 17.786 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 -0.183 1.616 2.775 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 5.884 -4.527 8.560 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -4.557 -3.511 -4.211 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 -7.741 3.608 -6.550 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 -26.481 -1.369 3.610 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 13.124 -9.142 -7.447 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 2.478 4.023 -1.091 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 12.887 2.873 8.766 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 1.942 -0.953 -10.826 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 5.857 -5.026 -5.998 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 19.269 6.534 2.919 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 7.289 4.119 9.418 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -0.790 -3.622 1.013 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 14.265 -7.564 25.677 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 7.675 -17.472 0.979 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 3.488 3.923 -9.301 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -0.070 11.243 -0.847 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -14.587 1.512 -25.561 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 -2.975 4.508 6.685 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 0.126 -22.890 36.157 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 -4.966 0.572 13.375 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 0.101 2.166 -1.234 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 18.644 -22.561 -14.826 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 2.508 1.548 12.118 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 1.205 -4.612 0.046 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -30.778 -17.078 -7.668 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 0.501 9.400 10.027 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -1.137 -7.244 -1.803 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 -4.533 3.869 4.048 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 -2.466 -19.526 -7.787 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 -2.835 7.050 -3.768 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -5.992 18.657 8.875 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -6.871 2.256 3.922 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 4.762 0.983 3.762 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 11.249 2.107 -1.802 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 2.534 6.565 3.665 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -4.964 1.114 5.808 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 -5.063 7.195 16.889 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 17.311 3.897 -18.604 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -1.346 -6.720 2.889 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 1.692 -14.212 2.235 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 -0.850 -8.196 2.931 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 1.777 -2.679 -1.797 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 15.069 6.371 -10.293 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 1.616 -3.603 -3.364 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -0.873 -7.363 3.206 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 -20.787 -19.953 -6.942 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 18.352 27.474 -7.863 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 3.170 -2.844 2.601 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 2.669 -2.645 2.897 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -7.973 3.521 3.735 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 0.023 -1.780 2.730 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 -17.054 -5.167 12.082 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 -2.857 -4.707 -21.214 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -1.034 -2.043 -1.814 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 0.355 7.584 9.536 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 -0.029 -4.531 5.440 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 4.650 -4.600 -2.555 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 -3.373 -1.024 2.122 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 10.540 -2.343 -10.493 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 -8.234 5.204 -1.119 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 5.120 -1.469 -4.933 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 7.666 14.047 -1.820 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 1.488 1.889 -4.678 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 14.858 -5.335 -32.677 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 4.147 5.929 7.283 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 -1.006 -0.144 -3.157 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 -9.388 -12.718 0.361 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 0.351 0.332 -8.728 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 3.147 5.269 0.374 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 4.850 10.936 -13.897 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 -1.672 -9.437 -3.985 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 -2.645 2.525 -2.574 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 17.172 2.987 -6.874 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 12.561 -9.125 -4.480 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 -5.011 -1.779 3.687 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 7.251 -2.492 10.760 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 10.576 -5.451 11.149 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 0.082 -5.570 -0.903 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 1.284 -11.230 20.079 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 1.867 -10.212 -17.840 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -5.230 1.101 3.757 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 3.062 6.415 -15.960 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -20.174 -7.345 8.371 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -6.491 6.076 -3.338 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 -9.682 13.094 -6.171 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -15.492 17.887 4.319 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -5.024 -0.120 -1.511 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -3.137 -11.622 16.487 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -2.460 -5.938 10.658 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 1.299 4.501 -3.867 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -9.412 9.090 -5.408 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -9.897 7.268 -0.796 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -4.982 5.862 -2.150 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 -6.543 -7.019 -3.083 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 6.041 -21.902 7.277 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 4.932 -2.431 -8.263 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 10.856 -7.291 5.424 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 6.859 -3.154 -5.903 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -7.555 1.961 3.768 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -19.176 -4.613 7.265 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -8.180 0.239 -6.377 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -1.279 -3.268 2.594 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -0.440 0.700 -14.205 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -2.446 -3.803 -1.408 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 0.048 -4.688 -7.251 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 19.195 -16.964 10.206 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 9.075 -17.231 1.574 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 1.506 0.166 -3.091 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 3.375 4.954 12.295 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 -4.736 10.435 -5.609 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 1.826 0.245 0.971 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -5.932 5.743 9.525 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 0.968 2.664 3.421 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 -0.475 -4.932 0.159 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -17.433 -0.441 -6.712 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 16.936 -5.461 4.084 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 0.033 -3.716 -6.333 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 9.664 13.080 -14.106 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -0.538 1.925 -7.364 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 0.019 2.664 0.211 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -8.101 8.018 -20.863 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 4.107 13.080 -18.734 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 -5.296 -4.444 5.959 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 9.108 -4.783 4.044 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 29.038 -18.393 -16.907 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 0.028 1.340 2.399 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 6.790 12.209 19.283 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 9.675 -12.914 -21.267 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 -4.042 -0.500 0.425 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 -9.414 -8.530 -1.411 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 8.140 -3.540 -8.430 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 0.608 -0.804 4.104 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 0.637 -13.935 8.726 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 11.801 -0.651 21.051 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 0.510 -0.254 0.748 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 6.836 -17.919 -10.397 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 14.152 -5.192 40.308 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 0.603 2.849 3.188 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 5.669 5.407 14.049 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -8.488 1.363 -8.454 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 2.028 5.985 3.793 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 8.837 5.791 8.150 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -5.515 5.077 -3.083 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 3.236 -3.762 -2.875 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 14.272 10.948 -5.882 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -8.133 -1.304 11.509 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 -4.779 4.708 2.580 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 2.819 10.527 -4.551 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -18.258 -5.039 15.973 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 -1.493 -1.777 -1.179 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 7.348 0.105 -6.292 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -24.249 -9.941 12.477 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 6.053 -4.401 -2.938 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 3.249 -7.676 -7.756 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 3.780 -6.672 -0.810 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 2.637 -1.510 -1.676 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 18.591 -0.431 -1.078 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -2.116 13.827 -5.374 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -4.588 -0.502 6.002 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 -11.319 1.924 4.547 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 -0.928 4.235 4.713 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 4.394 -0.650 -5.508 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 13.813 0.767 -16.233 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -21.015 4.239 -30.736 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 3.278 1.126 -1.194 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 3.637 15.974 -12.002 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -7.899 9.527 11.883 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 0.997 7.533 1.078 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 -7.724 -9.359 -9.158 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 5.120 1.201 8.785 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 -3.893 0.806 2.096 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 -4.740 -9.489 18.581 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 -2.693 -0.866 -0.974 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -5.414 6.974 6.420 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -5.704 -6.817 7.570 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 11.765 14.010 7.703 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 -3.155 5.722 0.446 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 -0.119 26.724 8.554 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 14.936 39.383 14.983 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 6.319 0.567 6.769 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 5.239 -5.155 11.310 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 -1.693 8.822 6.656 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 3.332 5.895 -4.000 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 2.602 13.512 5.995 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 -4.514 -6.987 -3.596 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 8.079 -1.685 4.385 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 18.211 3.426 -0.469 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -24.251 22.704 -3.459 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 6.471 -2.976 3.334 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 11.101 13.238 -1.518 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 4.328 -11.479 -4.014 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -5.525 3.649 0.508 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -6.753 -8.268 -13.906 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -14.885 9.417 -3.659 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 -5.325 -6.448 2.424 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 -0.744 25.714 -12.324 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -7.622 32.172 -5.775 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 5.053 -1.330 5.379 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 -0.652 -4.588 18.255 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -2.908 -13.708 25.817 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 1.226 4.972 9.899 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -14.499 7.335 8.984 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 5.680 -1.615 1.263 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 0.582 3.650 0.261 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 0.102 2.631 -3.190 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 8.645 4.734 15.782 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 -1.722 -2.167 -3.213 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -33.998 -9.554 -31.556 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 4.984 -8.238 10.961 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 -6.274 2.186 6.007 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -19.501 4.309 6.177 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 12.702 8.445 -4.017 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -2.129 2.835 6.261 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -0.628 31.319 22.016 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -12.558 -2.621 -0.294 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 2.498 2.374 2.654 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 -18.387 14.476 32.948 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -25.919 21.791 -27.657 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 0.275 -4.581 -6.008 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 29.932 -16.983 4.935 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 -29.491 -16.694 12.653 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 -1.725 1.901 1.305 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -11.025 -11.775 -5.440 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 4.953 7.909 4.378 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 -3.381 -2.189 -1.254 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 14.538 -15.021 1.368 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 -4.088 -15.919 2.437 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 -1.986 -1.529 0.113 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 -17.530 2.042 -14.215 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -23.821 -11.406 -5.122 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 0.788 -0.503 -4.618 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -22.367 -27.885 10.344 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 -9.563 31.102 -4.809 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 -4.584 -2.889 3.082 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 1.718 -24.223 2.906 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 -1.887 -9.584 5.564 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 0.334 3.808 -4.347 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 4.104 -0.399 1.661 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 3.773 -0.916 3.203 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 1.694 -0.518 -1.051 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 5.217 0.604 2.256 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 -0.865 19.539 -19.190 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 -0.497 -2.056 3.275 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 0.254 6.376 -9.611 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 -1.310 -12.204 18.203 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -4.858 -0.853 -2.808 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -9.887 -2.914 14.046 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 1.677 9.812 -23.018 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -0.566 -0.671 -5.083 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -9.495 5.985 -1.617 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -11.460 -9.430 -3.168 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 0.446 -4.297 -6.559 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 -18.201 -5.772 -8.800 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 -18.665 22.592 13.321 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 -1.773 4.280 -1.651 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 7.765 9.345 9.205 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 -5.980 2.105 -6.262 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 4.398 -2.373 -0.480 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 1.048 -3.644 -1.074 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 17.038 -8.452 6.993 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 2.285 2.383 6.134 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 -21.386 -11.925 3.490 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 -4.835 -8.033 -9.565 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -2.733 -1.827 1.119 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -7.346 -15.994 6.437 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 12.542 -10.385 2.052 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 -2.053 2.177 2.131 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 -26.568 0.275 4.721 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 2.827 11.335 14.750 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 1.087 5.117 1.060 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 1.849 13.829 -4.400 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 0.180 0.891 3.197 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 1.748 -0.701 2.827 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 -4.255 2.664 -3.393 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 17.458 -8.661 -8.731 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -9.023 -5.325 0.411 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -1.343 22.188 11.154 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -3.453 15.541 5.784 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 4.775 -0.465 -4.718 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 0.441 -2.385 4.889 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 14.003 -1.324 -11.883 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 1.878 -5.399 1.345 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 2.905 -19.894 6.968 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 11.908 3.808 7.325 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 -2.326 -0.230 1.895 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 -5.545 0.689 4.382 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 6.076 -4.219 4.194 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 9.964 7.684 4.040 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 15.173 5.625 -3.683 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 8.551 4.865 -6.690 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 5.509 -0.897 -4.857 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 2.551 4.184 -16.830 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 -2.107 -8.752 -2.951 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 -7.213 2.781 2.180 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 -0.690 -4.921 -17.529 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -12.372 3.875 -0.979 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -2.193 -2.672 0.914 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -0.647 -20.110 9.766 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 10.772 2.079 -17.405 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 2.241 1.582 9.076 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 -12.621 -16.098 14.024 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 15.816 -14.050 11.410 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 0.797 4.499 -7.566 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 13.423 -10.769 -45.623 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -6.564 11.069 14.003 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 2.335 3.900 -10.858 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 17.879 1.045 7.748 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 -23.530 0.496 -2.585 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 -4.184 10.286 6.209 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 -1.656 12.744 -3.618 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -2.502 2.680 8.790 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -2.841 6.370 -3.992 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 1.178 -10.157 8.092 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -5.374 10.638 -3.704 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 5.298 -1.881 -3.155 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 4.197 6.936 0.957 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 8.084 -8.232 -4.531 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 -3.331 -3.929 -3.240 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 13.292 -3.018 7.555 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 2.211 -7.132 -3.600 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 -5.874 -1.525 -2.385 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -12.383 -6.178 4.545 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 -9.596 -4.392 1.199 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 -2.643 -0.214 1.332 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 11.518 -8.957 -14.108 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 3.152 11.271 -15.544 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 4.012 -0.092 5.524 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 15.752 -6.925 1.524 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 13.776 8.359 14.704 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -3.397 -0.241 -3.267 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 -1.714 -2.657 -7.295 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 -25.573 21.393 -2.704 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 3.883 -4.622 6.866 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 3.780 16.639 4.830 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -0.893 6.518 8.920 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 1.921 0.931 0.973 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 0.298 -16.617 -9.360 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 2.453 0.760 10.930 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 0.260 -0.720 3.811 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -4.284 -17.512 0.553 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 -11.335 1.176 7.478 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -4.051 -5.880 -0.660 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 5.021 -6.430 -1.773 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 8.918 -2.961 3.427 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -2.697 8.542 -4.993 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 7.932 -0.891 15.274 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 11.877 3.853 22.994 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 3.494 -3.465 -0.065 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 6.990 0.847 -0.915 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 20.369 12.968 -8.264 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 2.336 4.962 0.602 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 -4.703 5.414 -10.089 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 10.326 3.645 -5.331 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 -5.760 -2.732 5.179 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 -5.591 -7.877 16.534 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 4.406 -4.654 5.249 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 3.054 -7.872 -7.774 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 0.848 -15.297 -16.447 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 -6.358 -6.509 4.088 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 2.190 0.281 5.189 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 24.170 -13.744 16.472 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 7.637 -0.668 -24.663 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -5.652 -6.968 -2.409 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -5.649 -5.760 -1.717 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -2.798 3.125 -9.297 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 5.368 -5.427 -8.005 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -11.988 -7.696 -2.796 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -11.077 -11.948 -13.316 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 6.572 -4.385 1.737 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 6.170 -40.909 13.605 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -18.854 13.881 -33.795 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 -2.522 -7.081 1.810 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -0.135 0.214 9.147 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 -0.588 -6.361 -6.853 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 5.777 0.780 4.098 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 -2.568 2.872 1.617 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -28.708 0.378 -8.134 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 9.697 -6.296 -1.530 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 15.740 8.383 0.875 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -10.436 15.920 4.578 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 -2.508 -2.894 -2.845 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 1.598 -9.358 3.459 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 3.322 1.156 -11.407 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 -7.597 -2.802 1.225 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 -2.914 -4.028 -8.206 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 8.689 -17.344 -11.378 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 -3.806 -5.476 6.191 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 -25.869 7.051 6.021 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 8.149 -3.036 6.002 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 4.381 -4.195 -2.740 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 4.564 6.809 16.694 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 10.787 15.451 -19.930 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 4.041 2.462 4.777 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 4.917 -2.070 -7.451 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -13.758 2.138 4.460 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 0.859 -1.141 0.608 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -20.549 -7.482 15.600 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 -6.153 19.433 -13.813 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 1.344 -1.247 -3.205 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 1.245 -15.496 25.008 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 26.686 -10.778 -14.877 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 -8.362 3.689 -4.985 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 9.858 3.036 1.425 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 -3.527 5.405 -8.139 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 7.094 3.859 1.004 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 10.018 -14.799 17.241 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 12.754 51.425 -35.318 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 2.605 -1.217 -0.163 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 18.368 10.754 -10.313 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 8.099 0.587 -4.519 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 -0.380 -1.641 2.240 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 -8.058 -4.553 -27.666 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 13.338 -9.485 -8.074 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -2.598 -7.402 -1.318 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -5.598 8.968 -2.830 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 -1.871 -10.704 -2.833 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 0.388 0.808 2.375 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -6.639 3.615 -11.014 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 11.965 -2.990 -9.968 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -3.138 2.948 0.737 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 2.938 -0.913 -0.977 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -15.253 7.468 8.557 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 2.386 0.530 -13.688 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -2.777 -7.863 6.277 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 1.196 17.954 -0.880 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 2.863 -1.742 -2.039 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -18.583 4.106 22.200 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 17.267 12.383 -16.685 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -9.523 4.358 -3.199 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 25.671 -8.354 16.845 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 3.836 0.811 7.404 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 4.591 6.510 0.596 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 2.625 -8.684 10.517 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 4.525 2.198 -20.292 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 4.747 4.756 5.735 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 16.770 -3.733 6.566 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 15.494 22.874 10.353 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 5.409 -1.415 -6.916 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 3.728 -16.229 15.123 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 5.564 -6.379 1.277 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 4.176 2.339 -0.224 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -6.537 3.928 1.730 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -4.291 11.568 13.084 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -3.086 0.182 1.423 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 17.279 -0.263 9.115 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 10.085 10.853 -2.404 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 3.294 -6.936 -2.075 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -3.175 -19.853 14.210 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 1.873 17.223 8.854 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 0.659 -0.810 -2.270 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 -5.130 20.320 -25.784 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -11.596 20.133 1.918 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -2.508 1.136 3.357 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 -6.970 1.513 6.548 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -1.261 -3.400 -2.350 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -3.293 -0.602 -3.293 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 12.107 3.260 9.482 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 -9.957 -14.335 1.224 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 2.130 4.830 4.113 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 4.632 -7.414 -13.778 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -2.454 9.778 7.500 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 3.778 -1.376 1.089 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 22.386 -1.386 -3.019 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 -5.808 -18.098 8.067 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 -1.521 0.737 0.864 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 5.309 -1.718 11.722 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 4.131 -3.112 -10.291 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -1.857 1.624 -7.936 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -7.499 -2.017 -9.264 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -30.981 7.020 -1.723 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 2.366 -5.973 -1.069 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 18.039 6.810 -9.518 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 3.320 -6.813 9.719 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 0.272 6.436 3.223 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 -9.763 0.536 15.260 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 6.711 -5.604 -6.416 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -0.184 1.363 2.608 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 -9.823 -16.989 -15.790 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -8.952 20.660 2.096 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 1.708 -0.653 -1.105 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 7.051 -9.079 -2.900 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 14.026 17.755 -15.085 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 2.302 -2.370 -0.277 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 2.725 12.040 -11.665 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 14.190 -5.665 2.919 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -2.355 -3.101 0.170 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 7.873 7.722 7.300 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -8.610 -9.956 -4.990 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 -3.050 0.712 0.883 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 6.066 -15.319 3.235 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 -6.307 5.284 -2.695 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -0.648 -5.893 2.723 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 4.628 -5.537 11.933 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -2.144 2.284 -0.185 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 -3.567 0.859 3.716 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 -4.473 -2.426 8.514 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 -5.192 -0.052 -0.407 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 5.392 -4.518 0.248 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -0.762 -30.898 -7.986 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -13.148 -8.419 6.098 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -2.517 -1.141 -3.175 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 -24.549 -3.011 -10.008 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -3.123 -16.717 -2.995 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -3.822 -3.718 -4.058 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -6.394 2.583 12.232 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 -5.723 -4.688 -3.792 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 2.301 -6.591 6.213 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 22.755 -3.008 11.083 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 -7.343 -34.238 8.344 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 5.823 -1.326 3.018 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 2.087 7.301 14.416 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 -1.326 -6.879 -18.110 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 2.312 3.613 -2.034 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 2.226 1.345 1.457 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 8.151 0.363 -1.521 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 -2.334 1.556 -4.268 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -1.700 0.519 -5.744 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 7.409 -16.695 5.900 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 4.868 2.976 -1.930 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 -1.805 2.115 -2.126 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 0.640 3.711 -2.653 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -10.392 -2.761 0.530 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -6.593 -0.636 4.385 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 -7.139 -5.991 -0.235 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 1.574 -3.919 -2.434 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 11.851 -10.091 9.913 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 26.310 2.206 -32.843 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 7.474 -1.341 5.593 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 -1.621 -2.609 -12.419 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 4.367 -0.049 3.577 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 -3.013 -0.744 5.086 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 -7.648 9.646 -9.718 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -22.848 -13.709 12.535 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -1.140 -3.848 7.194 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 5.500 -5.110 12.647 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 5.491 -1.621 13.261 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 -3.653 -2.457 2.864 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -2.914 9.055 21.089 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 -8.960 -7.747 3.250 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 1.909 2.311 7.472 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 2.613 7.191 3.600 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 8.558 -10.417 1.003 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 1.445 -0.548 3.389 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 -18.868 -5.219 3.020 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 3.513 -8.120 25.149 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 4.348 -1.940 7.410 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 10.835 -6.759 12.448 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 2.156 -3.863 7.419 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 -2.395 2.214 1.791 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 10.407 -17.691 -6.703 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 2.298 -0.318 -2.555 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -4.654 1.085 -0.510 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -3.551 1.252 -7.126 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 1.907 4.999 2.630 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 5.996 5.916 4.335 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 21.855 22.767 14.958 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 3.209 9.159 -15.266 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 2.380 -5.647 2.089 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 -0.665 -2.017 1.091 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -15.272 5.042 -7.076 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 5.102 -2.752 -6.819 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 4.592 -8.525 -3.048 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 5.273 2.137 -8.299 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -1.530 -1.774 -9.165 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 -12.118 10.087 22.430 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 -1.786 -2.770 16.042 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 0.266 0.789 4.405 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -6.042 7.745 2.146 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 1.820 -3.122 -0.409 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 4.891 -0.446 0.373 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 3.537 -10.198 14.964 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 12.660 -1.115 22.543 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 -5.344 -2.672 -6.982 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -21.570 5.367 -8.277 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -19.598 7.708 10.285 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 -4.484 0.150 3.465 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 29.554 -10.568 2.593 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -9.538 -13.159 3.939 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 -0.951 3.387 -1.815 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 -2.648 15.911 -0.743 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -12.793 -2.438 -11.091 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 -1.441 -2.098 -1.828 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 -7.509 9.823 30.699 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 22.998 -15.405 -14.509 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -9.040 0.265 4.462 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -1.347 0.854 2.928 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 27.852 1.057 -0.511 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 3.038 0.551 -1.253 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 6.971 5.079 -4.231 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 -17.592 -1.868 1.852 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 -4.833 -1.586 -1.986 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -26.192 9.245 -10.641 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 3.298 -13.017 -22.844 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 3.053 -0.355 4.354 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 3.183 -10.432 3.216 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -1.349 -1.708 14.113 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -1.641 1.049 5.353 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -8.150 23.699 -0.340 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -1.824 -17.557 10.385 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 0.851 -2.497 -9.713 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -10.616 -7.652 -12.007 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 2.471 -3.326 3.352 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 0.707 4.713 2.127 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 3.482 11.779 3.724 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 -6.805 -5.604 11.111 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 1.443 2.987 -1.629 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 -4.685 -5.324 -10.665 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 9.182 21.624 -10.416 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 2.607 -1.497 3.157 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 2.274 0.049 5.646 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 9.399 -2.296 -13.634 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 -5.455 0.638 -2.558 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 -7.944 -9.134 1.842 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 4.327 0.057 -4.956 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 6.088 0.185 2.819 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 -2.990 11.267 1.386 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -6.776 12.208 5.979 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -5.163 1.881 -5.022 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 7.081 -2.128 0.727 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 3.374 12.256 10.225 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 -0.352 -4.272 1.972 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 3.338 -16.722 7.333 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 13.418 3.615 4.782 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 1.189 2.380 2.515 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 5.741 -5.484 18.100 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 -14.804 12.872 -2.346 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 0.973 -3.371 -2.202 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 -18.924 5.934 -4.384 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 13.772 -6.365 0.814 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -3.786 -2.503 1.953 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 -12.169 -1.687 4.867 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 -5.270 -7.269 -2.502 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 4.382 7.309 -4.443 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 3.382 -0.613 -4.000 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 6.397 8.396 8.798 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -9.325 8.831 6.301 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -7.727 14.782 -3.564 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -1.324 25.373 7.721 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 2.725 -2.447 -4.538 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 17.744 3.232 9.024 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 -7.705 16.930 -9.717 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -7.036 2.889 -5.767 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 14.123 26.889 -4.873 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -16.759 -9.633 1.788 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 0.377 0.440 0.486 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -7.161 8.174 -1.604 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 0.509 -9.473 -11.106 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 10.738 0.909 2.553 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 -0.868 8.641 2.630 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -38.273 9.685 -0.924 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 3.859 -3.705 -0.814 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 12.889 -20.970 -8.698 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 3.884 24.865 -16.506 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 0.986 1.614 -0.712 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -12.801 8.777 23.929 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 8.044 11.832 12.940 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 0.632 -5.131 6.751 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 16.017 16.912 10.828 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -9.048 3.106 15.603 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 10.486 4.975 -4.242 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -11.884 -16.371 13.775 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 15.346 16.288 -8.619 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -6.575 1.675 0.692 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -8.891 -3.058 -0.614 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 -3.429 2.031 -4.485 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 -1.212 0.514 0.756 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 4.341 -9.791 -5.638 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -7.254 10.190 -24.605 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 3.460 -1.964 3.135 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 17.882 -15.568 8.664 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 1.705 -4.158 -6.829 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 3.894 -5.332 3.697 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 5.207 -18.268 0.872 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 1.045 1.497 4.306 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 6.754 5.203 2.158 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 8.485 2.977 30.155 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 7.832 -4.829 23.558 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 4.936 7.861 -4.004 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 12.572 13.610 -9.770 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 4.841 14.815 -20.973 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 11.245 2.978 0.081 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 -17.322 8.211 -6.236 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 14.170 -8.815 12.952 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 -1.117 -0.010 3.007 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 6.567 -5.057 -0.579 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 -8.048 4.234 6.165 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -1.741 0.906 2.347 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 15.881 12.710 3.069 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -21.654 2.976 1.337 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 1.579 3.176 -0.937 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 26.712 8.481 -0.243 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 8.660 11.607 4.174 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -4.938 -1.241 -6.279 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -7.630 7.518 -17.225 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -0.494 -6.771 6.597 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 0.181 4.228 -0.274 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 2.016 -8.625 -1.944 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 8.917 6.067 -9.892 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 1.122 -3.640 2.311 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -6.248 -6.601 9.957 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 7.148 -13.789 16.380 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 4.223 -1.707 1.925 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 1.804 12.404 4.830 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 4.773 12.422 -21.044 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 2.286 4.659 2.869 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 10.877 -5.903 2.338 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 5.864 4.298 -4.230 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 -0.952 0.704 -3.151 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 -3.352 -9.875 25.200 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 0.874 -6.006 0.245 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 3.585 -0.523 2.383 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 11.580 9.611 30.496 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 21.050 13.942 -15.712 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 -1.532 2.957 -3.156 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 16.632 12.990 -1.520 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 -10.439 0.829 9.181 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 1.393 -3.535 4.454 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 -0.646 -2.471 -7.907 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 2.084 8.528 8.199 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 2.844 4.845 -0.201 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 3.651 -11.442 -0.226 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 5.937 3.672 7.532 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 0.108 2.758 0.405 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 9.492 -4.398 -12.473 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 4.396 -10.102 5.611 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 -3.548 -1.212 5.304 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -6.944 1.497 -9.902 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 7.428 12.029 24.213 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 4.926 2.343 -0.743 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 5.610 10.694 -9.522 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -20.095 9.076 -7.504 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 2.393 4.812 7.855 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 -1.568 16.220 5.508 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 10.407 -4.883 13.161 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 -0.321 -6.223 10.850 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -9.094 -33.214 1.569 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 -1.348 -14.122 -5.857 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -4.634 0.734 -0.413 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -7.915 4.768 -18.626 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 -9.908 -9.066 7.485 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 -1.654 -3.697 -0.436 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -0.160 -3.196 -0.543 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 3.044 -1.226 0.363 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 1.503 -2.483 9.144 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 14.385 -22.570 3.738 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 10.925 5.405 13.094 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -6.217 -0.487 1.671 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 -26.683 -21.395 -14.068 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 0.139 5.106 6.073 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 3.801 -3.247 10.566 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 -2.225 0.559 13.680 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 5.703 -2.536 5.253 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 0.125 0.006 4.042 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 7.905 3.456 -2.563 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 5.407 2.481 -21.489 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -8.845 -0.048 0.109 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -22.048 -2.094 13.942 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 1.769 -11.900 -15.859 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -1.278 0.482 0.928 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -5.197 2.582 -0.944 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 3.073 -4.928 0.343 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 2.358 -0.716 -1.429 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 -0.564 1.573 -4.769 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -1.076 2.991 -18.813 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 -3.354 0.613 6.717 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 0.134 1.886 12.777 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 -2.023 7.129 4.203 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -2.882 6.068 -4.075 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 1.342 -0.558 -4.493 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -21.124 23.636 -8.393 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 3.734 -1.496 2.411 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 8.253 -9.493 4.191 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -6.826 -3.030 -2.145 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 0.529 1.093 -6.121 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 -13.949 8.313 -7.049 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 16.495 11.243 -14.962 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -10.106 2.098 -5.341 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -14.934 9.208 4.092 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 -2.972 -6.968 -9.416 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 -4.665 2.143 4.324 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -18.748 -8.290 22.114 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 17.267 -13.456 0.494 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 -1.273 -2.412 7.468 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 4.689 -1.310 2.484 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 8.952 12.917 -11.028 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 1.673 3.726 3.082 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 7.904 6.269 6.267 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 0.199 1.115 3.738 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 0.837 -3.829 -6.295 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 0.355 -10.874 26.673 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 -7.096 4.701 2.960 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 3.661 -3.804 -4.329 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 3.308 -4.212 11.467 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 1.644 -4.931 16.370 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 4.880 -3.768 0.465 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 1.238 -12.249 6.640 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 1.672 5.231 6.803 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -3.354 -2.113 -7.403 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 4.983 2.559 12.887 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 7.701 10.605 2.093 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 2.288 6.601 -5.393 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -13.108 2.036 11.019 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -3.406 5.178 -14.739 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 3.981 -3.194 -0.627 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -0.021 -21.863 -6.924 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 4.447 -2.620 -4.800 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 -3.202 5.131 1.464 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -5.443 -2.322 -14.726 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 12.062 -3.709 0.643 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 0.449 -2.039 3.981 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 6.262 -17.532 7.128 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -2.313 3.136 -4.068 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 4.313 -4.155 1.680 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -3.260 3.237 12.110 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -7.562 15.265 -28.010 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 2.229 -5.347 -1.629 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 3.185 -18.522 -8.576 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 -10.788 -17.726 7.586 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 2.258 1.558 -0.264 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 26.152 -10.017 16.867 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 11.260 -7.394 6.985 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 0.442 7.109 -1.139 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 -1.137 5.474 -6.054 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 0.034 14.912 5.081 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 0.055 -7.455 1.966 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 -4.423 -8.704 -2.480 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 -7.759 -13.734 -6.066 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 0.611 2.812 1.541 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 0.823 6.924 -10.029 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 0.270 1.416 5.292 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 7.396 -3.813 3.952 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 11.522 18.534 12.297 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 6.423 18.683 12.958 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -0.327 -0.482 0.492 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 4.740 2.894 10.135 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 -0.751 2.435 5.832 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -0.493 -7.545 8.225 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 3.599 20.504 15.951 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -7.463 3.930 -11.698 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 4.481 5.481 -0.208 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -5.953 17.643 10.667 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 -6.690 7.412 0.733 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -0.675 0.808 0.027 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -26.365 -3.143 0.651 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 8.588 7.435 -1.653 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 -1.875 -7.364 0.186 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 -4.458 -4.846 -26.252 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 9.345 -6.161 29.616 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 3.040 0.274 -2.840 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 8.895 -5.282 -11.719 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 5.679 13.048 -2.013 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 10.282 3.512 0.814 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 6.815 5.066 13.085 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 16.483 -4.643 2.719 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -0.790 1.075 -3.472 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -1.719 -1.813 -1.733 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -5.132 -8.414 4.049 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 -2.743 -2.649 3.893 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 3.829 1.411 -7.706 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 -1.857 7.867 -11.094 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 5.329 -0.984 0.910 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 13.780 8.155 -12.994 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 8.606 -9.300 12.759 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 -1.182 -1.548 -3.127 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -8.475 29.734 3.394 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 -2.414 6.612 -20.498 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -3.488 0.592 -3.340 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 6.833 1.728 1.595 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 6.692 17.011 6.540 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -2.839 3.164 -0.161 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 4.166 -3.349 -22.798 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -2.589 -8.048 0.262 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 3.244 -4.103 -0.427 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -4.716 7.197 14.667 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 -6.969 0.778 3.223 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 1.921 2.604 -2.001 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -16.620 -10.677 -16.931 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 18.923 17.104 8.945 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -3.955 -5.789 -2.929 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 5.870 2.079 3.688 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -7.541 -5.306 11.401 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 0.159 1.462 -0.883 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -3.390 10.292 12.823 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 -0.446 3.634 2.071 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 1.065 -0.583 2.409 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -3.049 10.508 22.300 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 6.379 5.096 -18.458 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 5.124 -0.015 -0.026 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 -3.295 9.304 18.751 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -2.333 -28.828 19.011 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -0.948 4.471 4.436 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 -7.904 -4.906 11.406 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 19.986 10.686 -1.752 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 1.613 0.886 1.336 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 6.847 -2.205 6.871 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 2.790 -5.579 4.736 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 3.028 -6.150 -3.040 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -8.470 0.812 5.451 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -21.492 -8.937 9.333 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 2.537 -0.149 6.437 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 16.276 33.063 17.858 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 15.452 -10.916 -5.671 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 -0.713 -4.334 -4.205 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -11.935 -12.771 6.879 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 0.836 -2.486 -5.869 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -1.036 1.329 1.692 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 1.926 13.988 -10.203 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 11.523 4.281 -0.712 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -3.274 1.242 -3.773 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 1.882 -14.008 14.722 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 1.086 -7.430 9.496 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 -1.985 2.159 -0.736 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 -17.731 5.358 -0.235 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 5.576 3.995 -1.390 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 -7.371 4.822 2.137 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 -0.984 -6.988 -3.983 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -15.845 16.766 0.584 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 0.716 -4.851 4.400 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 -1.849 15.691 -2.609 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -8.069 -10.500 -26.600 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 -3.196 5.510 -9.492 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -5.747 6.314 -2.134 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 0.700 1.110 4.429 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 -2.607 -1.847 3.497 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -8.811 6.638 23.480 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 15.491 9.683 -10.886 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 -0.625 -1.662 1.639 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -2.258 -5.992 3.935 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 1.040 -0.512 5.981 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -1.327 6.270 -0.446 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 4.553 36.335 7.477 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -11.061 2.894 -11.203 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 7.982 8.637 -1.616 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 7.621 23.080 15.068 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 8.019 11.249 0.614 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 4.219 1.123 -7.211 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 -2.274 -8.830 -8.382 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 0.274 1.119 6.571 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 -4.297 2.302 1.849 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 6.916 11.412 4.166 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 -3.906 -23.496 6.099 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 3.426 -0.488 2.027 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 3.971 2.716 4.373 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 4.405 8.411 8.715 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 -0.448 -7.219 3.282 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -5.306 0.718 16.792 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 12.399 0.091 -0.256 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 2.001 3.865 0.397 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -32.794 8.230 13.813 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 6.394 -0.655 1.343 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -1.105 3.819 -1.011 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -3.821 10.562 -1.981 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 0.284 2.750 0.031 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 2.217 -0.616 3.184 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -2.212 -5.463 7.683 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 -8.070 14.832 23.708 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 -6.313 4.533 -0.367 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -21.550 -25.546 23.707 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -13.685 -10.733 11.679 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 -6.301 0.118 0.617 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 5.954 9.719 -2.259 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 4.797 8.787 -1.614 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 2.550 7.481 -1.733 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 -28.530 -13.990 -12.865 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 12.996 -3.600 17.834 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 0.381 4.722 -6.637 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 3.169 -6.336 5.449 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 5.448 -8.350 10.355 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 0.856 0.318 0.082 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -4.169 -0.794 5.010 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -1.740 8.607 -8.150 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 6.509 -4.566 0.976 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -8.564 -16.753 2.097 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 2.266 -8.609 3.760 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 -3.432 -1.315 1.979 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 -25.280 1.025 3.461 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 9.808 8.581 -3.028 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -3.436 -0.787 4.107 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -4.106 -2.361 4.761 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -6.484 -0.722 -6.585 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 4.351 3.422 -3.574 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 11.614 -13.911 -15.715 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 14.234 27.258 -13.188 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 -5.568 -4.861 -2.851 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 14.718 -18.282 -2.928 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -10.875 -18.597 7.720 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 1.229 2.483 -3.069 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 -11.519 7.413 15.354 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 28.130 16.353 20.071 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -1.004 2.802 -2.182 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 -12.530 16.098 12.832 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 22.148 -9.318 11.913 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 0.639 4.351 -0.750 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 12.434 21.867 16.665 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -8.869 -3.505 -9.121 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 4.274 -0.821 -1.809 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 -1.137 -0.129 3.147 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 13.962 0.814 -6.070 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 6.843 -5.747 -4.034 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 8.163 -6.114 2.035 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 -0.169 0.847 4.878 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 4.128 -3.319 2.565 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 0.180 -1.057 0.845 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 7.659 -9.601 7.285 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 9.595 -4.299 5.601 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 20.872 -2.708 10.315 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -26.907 -8.842 11.367 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 5.705 1.617 -0.179 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -2.045 1.183 23.366 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 -4.479 -11.072 -11.843 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -0.778 4.653 -6.614 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -12.856 19.602 17.586 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -29.184 1.368 -16.435 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 10.078 0.527 4.845 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 18.863 1.463 8.970 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 7.533 -8.021 -0.268 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 0.970 -0.274 2.591 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -0.739 -26.197 13.993 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 3.336 0.670 11.910 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 -1.524 -3.967 1.154 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 8.409 4.391 -7.576 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 4.805 -6.843 14.477 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 2.308 4.718 -1.841 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 1.526 4.236 -1.979 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -9.610 -0.520 -6.983 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 2.889 5.758 -3.030 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 -9.091 -2.274 9.208 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 16.577 10.057 -3.624 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 -5.883 3.272 -3.490 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -23.063 8.579 13.155 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 11.657 -4.693 -21.009 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 1.807 -0.247 -1.290 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 -7.619 -1.242 -7.017 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -31.359 -4.062 -21.911 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 -5.788 -5.583 4.078 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 -8.260 -19.768 1.651 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -6.236 5.044 7.215 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 -4.313 -1.691 -4.538 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 12.451 0.029 0.484 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 8.604 -9.624 -4.060 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 1.608 -4.295 2.413 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 12.707 -10.947 -5.076 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 17.572 -11.755 -7.137 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 -1.552 -4.319 -2.708 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 -18.369 7.724 6.141 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 -13.284 -7.561 -22.473 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -2.419 -1.758 -2.586 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 14.897 2.055 8.440 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -11.715 9.979 10.097 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 5.142 2.554 2.441 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 21.672 14.981 7.147 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -2.948 5.586 -9.084 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 -3.933 2.911 1.374 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 -4.337 -15.571 20.420 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 19.389 1.614 -12.417 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -2.534 -1.010 -4.313 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 1.214 7.944 3.078 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -4.267 -5.927 -6.658 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 0.527 -2.515 4.903 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 11.792 4.375 -8.373 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 -6.954 -14.215 6.436 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 9.014 6.360 4.654 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -6.935 21.996 -26.916 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 6.592 13.696 5.708 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -0.989 -0.278 6.206 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 3.527 4.374 -7.052 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -21.341 -11.340 -13.928 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -0.431 2.016 -3.015 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -5.482 -2.841 3.651 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 4.760 13.342 -19.904 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -2.099 8.962 -0.318 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 -3.737 13.053 8.633 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 17.199 -9.371 -33.777 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 7.721 -1.202 -1.050 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 24.179 -11.102 13.218 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 -1.423 -2.737 -1.187 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -7.387 -0.072 -2.196 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 -2.496 1.770 -4.378 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 7.641 -10.114 -25.051 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 7.570 -0.338 0.258 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 3.427 4.570 -13.880 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 15.764 8.926 19.478 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 -0.969 5.048 0.314 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 29.622 6.663 -8.659 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 32.176 13.256 -22.044 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 1.087 3.350 0.625 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 8.104 1.927 -21.774 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -1.091 2.179 6.344 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 1.882 2.896 3.863 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 5.159 7.798 -1.594 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -5.016 5.296 2.222 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 -6.775 -0.595 -2.540 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 -4.219 -12.450 -12.022 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -6.263 2.350 7.346 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 -5.988 2.201 4.574 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 10.115 14.265 28.665 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 21.521 26.284 7.380 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 2.524 5.733 4.483 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 -19.682 -20.593 0.685 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -13.587 26.213 -11.509 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -4.741 -4.572 4.262 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 -0.925 -5.073 10.121 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 9.340 -5.281 3.387 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -4.185 4.761 -2.357 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -4.782 5.638 0.876 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 17.491 9.196 -0.238 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 5.168 1.512 6.652 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -4.815 4.828 4.457 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -3.467 -6.267 14.866 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 4.891 3.206 -2.489 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 9.450 3.640 14.645 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 4.400 4.133 -3.895 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 4.335 13.151 -0.683 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -3.301 6.802 -0.658 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 17.832 12.529 -8.195 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 3.267 2.585 2.080 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 1.279 22.720 -6.308 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 29.829 -5.800 -8.411 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 3.789 -4.508 -2.512 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -3.153 -8.044 13.967 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 1.101 -4.608 0.474 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -0.877 0.928 -1.741 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -5.494 -15.715 18.096 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -2.171 2.424 -1.174 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 -6.580 -2.424 0.407 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 0.111 5.803 -20.123 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 10.318 -3.422 -1.856 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -1.325 2.512 -1.105 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 7.951 -9.289 -16.556 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -8.721 -0.664 7.889 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 6.075 0.183 3.748 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 -7.336 -2.416 -0.796 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 18.310 3.239 7.199 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 -1.689 -3.030 -0.584 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 -16.175 13.494 -1.658 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 -2.141 -2.551 -6.511 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -9.142 -1.543 -1.242 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -16.573 -2.240 -1.552 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 7.891 -1.045 1.771 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 3.852 -0.687 -2.100 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 28.335 -1.875 -17.669 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 -0.083 30.620 6.763 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 4.002 -4.019 0.501 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -12.357 -15.903 -12.899 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 10.141 0.074 4.428 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 3.332 1.569 -4.000 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 7.732 0.622 6.942 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 5.232 13.979 -7.629 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 7.142 -4.298 -4.324 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 2.199 -2.004 -6.628 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 2.830 -9.505 -5.170 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -0.835 4.819 -3.244 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 5.515 -0.126 3.073 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 15.274 -4.598 9.801 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -4.223 3.701 5.259 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 5.306 18.665 -2.107 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 3.705 -8.200 3.714 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 8.084 6.786 -1.120 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -1.470 -2.619 -28.122 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -7.924 12.757 -10.151 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 -2.881 -0.530 0.641 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 3.370 19.928 -15.502 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 -38.873 23.099 -4.113 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -6.731 -0.024 -1.853 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -13.635 -2.555 -1.737 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 -15.698 -14.225 6.488 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 1.214 -4.667 -3.712 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 -10.095 4.486 -37.280 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 -3.559 23.111 6.470 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 4.446 -3.263 -0.295 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -3.213 6.600 -3.935 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 7.673 2.424 -0.954 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -3.950 -0.431 6.821 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 18.551 32.281 4.231 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 -9.241 -7.837 7.748 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 -0.459 -2.818 -2.583 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 -16.531 7.808 -5.872 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 8.633 -50.979 23.913 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -0.773 4.649 3.198 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 9.374 11.244 -1.805 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 8.232 2.336 -11.903 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 -3.173 4.253 -0.315 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 5.356 -0.906 -3.011 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 8.989 7.881 -10.457 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -0.417 -1.160 -9.787 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 7.638 -20.473 1.538 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -18.953 13.816 -1.997 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 4.962 -5.306 -4.654 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 2.188 -23.814 -6.949 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 6.325 -46.798 -0.073 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 0.266 1.749 3.153 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 10.562 2.086 -25.131 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 -6.792 0.443 -15.868 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 -3.659 5.061 1.395 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -5.752 7.468 3.584 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 -3.527 14.721 -12.568 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -1.402 -7.409 -7.239 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -16.863 -10.782 -11.628 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 -5.181 -7.096 12.132 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -2.316 1.493 -0.250 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 -3.241 9.051 -7.782 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 40.385 -3.473 4.723 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 -4.462 0.393 -3.579 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -19.191 2.534 -19.604 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 -1.082 -0.248 -0.613 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 0.716 -6.184 -2.912 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 1.326 -7.068 11.147 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 -4.828 -4.585 -30.569 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 -2.004 2.654 -6.379 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -11.077 12.643 8.591 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -10.000 -3.019 -6.802 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 3.287 -2.604 -3.960 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 4.360 -15.813 -5.677 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 3.115 -15.063 -8.857 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -0.068 -5.135 1.658 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 12.218 -0.286 10.674 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 -6.701 -19.836 10.590 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 3.072 1.808 -0.541 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 14.556 -9.111 10.957 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -15.630 7.945 2.851 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 -3.442 6.234 0.335 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -22.492 8.450 13.433 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -4.143 5.824 -2.709 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -2.795 3.481 -2.801 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 -3.716 -10.518 -9.748 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 -3.446 -3.713 2.423 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 -1.857 -1.237 1.196 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -13.005 -3.638 0.513 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -4.954 10.281 -1.776 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 8.001 3.803 -5.291 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 -6.372 19.618 -1.884 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 16.740 -12.845 2.158 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -2.331 2.039 -3.140 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -7.596 8.643 7.487 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 3.840 -8.349 1.162 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 1.075 1.689 -4.998 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 24.575 -0.226 8.385 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 -16.280 8.769 -9.581 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 1.761 -10.829 5.425 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 -13.057 -9.336 -4.681 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 30.168 -8.229 15.664 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 -3.093 -1.493 -4.169 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -17.044 6.611 -10.407 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 6.534 8.971 3.511 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 4.770 2.259 0.460 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 -25.443 3.611 1.468 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -1.846 5.979 12.169 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 -3.499 3.888 -0.027 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 18.188 -2.773 20.430 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 5.288 1.564 9.802 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -1.566 1.547 -4.802 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 5.315 -51.612 10.837 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -5.839 21.428 1.891 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -7.117 4.630 -4.637 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 14.319 -4.422 -16.276 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 13.967 -4.955 -20.215 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 0.936 -3.597 3.142 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 8.174 25.552 -8.453 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 -32.558 0.648 -3.631 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 3.398 -3.336 2.343 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 9.059 15.758 4.464 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 12.306 12.291 1.381 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -1.863 2.673 3.541 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 -9.412 -9.379 0.848 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 10.243 -0.731 7.068 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 1.291 -1.672 -3.050 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 2.705 0.825 -0.730 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -9.192 -23.743 -18.588 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -0.010 0.683 -3.000 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 1.377 2.639 0.633 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 -2.954 3.523 -10.982 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 -1.367 3.137 0.586 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 -6.298 12.838 16.592 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 8.052 -27.161 -29.822 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -1.395 1.211 3.617 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -0.837 -2.357 3.945 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 -1.623 27.141 -1.316 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -4.482 3.580 -0.248 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 2.100 -5.483 -1.324 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -0.181 -18.372 13.865 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 -2.542 1.111 1.140 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -0.590 0.818 0.546 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -14.483 11.043 0.869 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 -3.404 4.762 -6.535 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 13.078 20.475 -11.625 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -15.449 -2.773 -10.875 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 1.780 0.282 6.422 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 6.298 -11.043 15.884 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 2.287 25.601 2.117 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 -9.819 0.218 2.381 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 10.174 13.609 -7.564 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -14.247 5.888 4.447 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 4.746 -10.532 1.039 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 -13.684 -30.523 -0.083 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -2.400 -11.843 0.911 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -6.027 -4.371 -0.147 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 10.053 -1.293 4.396 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -4.267 -10.693 -5.312 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 3.133 -0.976 -1.436 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 -23.808 2.145 0.140 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -18.743 2.147 -3.914 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -0.023 1.146 1.895 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 5.224 10.447 23.211 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 -4.525 1.078 -3.539 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 0.077 -0.121 -5.651 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -19.756 8.359 -1.279 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 6.454 9.251 -11.448 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -4.895 -1.218 0.688 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 -15.968 -15.191 20.103 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 14.974 -25.534 -11.075 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 6.187 0.446 -5.698 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 5.937 23.168 -7.413 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 21.171 -0.809 -0.991 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 -1.391 1.198 2.046 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 -10.728 5.458 0.639 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 0.533 2.250 -1.338 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 0.045 8.504 1.108 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -9.402 5.454 9.761 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 4.897 27.045 12.152 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 2.400 0.698 -1.344 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 12.078 5.802 -5.934 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 2.593 -20.131 -6.936 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 -1.289 -0.646 1.615 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -3.845 0.149 0.191 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 1.611 -7.449 -4.405 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 -0.635 2.631 4.222 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -1.720 9.448 9.007 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 -1.621 2.926 8.692 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -0.862 -0.094 -1.528 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -10.691 -11.121 -0.089 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 7.344 -18.081 0.398 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 2.423 -7.102 -2.242 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -0.766 -4.415 -12.679 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 -27.800 -20.968 4.576 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 2.573 -0.298 6.126 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 15.058 4.500 -12.839 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 9.828 2.432 -0.350 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -2.067 0.602 -1.741 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -2.821 -7.526 -2.863 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -2.125 -3.899 -3.034 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 3.734 0.137 -1.221 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 15.863 2.053 0.703 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 1.709 4.809 8.756 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 0.660 3.001 -5.600 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 4.861 6.425 -15.359 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 30.739 4.347 12.872 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 -2.664 -1.172 -6.075 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -2.989 8.911 3.531 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 6.403 -6.191 -7.386 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -0.875 5.150 1.365 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 21.267 -12.014 3.548 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -21.550 21.211 -1.034 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -0.875 -9.208 -4.650 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -4.933 -15.780 -7.535 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -7.897 -4.502 -0.474 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 3.374 6.243 1.634 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -14.020 1.989 12.594 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 17.858 15.972 -11.199 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 1.028 -4.412 -1.101 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -9.387 -7.547 9.261 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 12.244 -0.583 -12.417 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -1.465 0.090 2.589 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 8.627 0.342 5.372 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 24.843 0.730 10.904 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.203 1.722 -4.330 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -2.817 2.066 -9.289 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 13.786 13.251 3.137 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 -3.421 3.167 0.039 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 0.886 18.279 -10.030 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -10.284 -8.373 9.830 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 1.207 -3.834 3.310 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -4.871 -6.981 -1.802 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 2.865 -24.296 11.658 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 3.653 -0.578 5.888 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 0.872 -3.674 8.044 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 7.892 -24.795 2.762 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 0.722 -3.269 2.065 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 2.096 8.124 -3.264 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 4.698 7.216 -4.810 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 -6.696 2.005 -4.400 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 13.570 -18.902 -27.294 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -7.800 5.790 6.508 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 4.828 4.767 5.326 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 5.580 3.901 3.434 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 9.056 6.152 -1.263 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 1.656 3.730 5.700 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 3.605 4.766 5.873 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 -3.825 2.904 4.440 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 0.951 -7.010 3.524 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 8.397 8.908 -9.761 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 5.608 14.220 -10.427 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 -3.560 9.579 -2.775 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -21.715 -21.831 -25.146 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -4.258 14.765 -3.538 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 3.451 -2.607 1.166 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -22.166 -9.361 17.677 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -11.648 4.467 13.867 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 0.245 0.160 -0.625 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 8.810 -4.410 1.443 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 -6.030 10.315 5.834 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -2.491 -1.676 5.607 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -3.111 5.527 5.269 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -2.606 -3.301 7.274 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 1.776 2.255 -3.123 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 16.737 -2.525 -5.993 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 13.322 7.779 -17.310 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -4.046 3.237 -5.458 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 -12.885 1.437 4.917 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -7.758 12.091 4.845 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 0.957 -1.026 -1.666 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 23.159 -29.021 -20.895 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 5.206 -9.593 6.125 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 4.674 1.519 0.972 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 3.968 -19.484 11.990 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 2.204 6.130 -9.042 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 8.704 1.284 -6.943 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 9.315 3.753 -7.195 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 0.858 -22.924 -2.395 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 1.267 1.464 2.500 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 5.440 -12.271 -9.329 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 -2.249 9.107 -1.811 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 5.877 5.683 -3.528 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 -3.514 9.068 -3.652 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -5.225 14.783 -30.033 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 -8.903 2.944 2.219 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 2.644 16.340 9.127 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 9.592 19.534 15.351 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -3.586 -4.954 11.898 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 3.544 -7.828 -0.987 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -0.527 -6.776 10.598 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -4.592 -2.202 -1.375 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 0.284 6.780 -4.848 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 -6.776 -9.530 -11.759 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 -3.189 -6.834 5.487 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 -15.221 -4.592 20.514 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 17.441 -10.654 -8.776 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -8.173 -1.674 2.394 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 -1.534 5.418 4.181 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -6.029 -9.263 8.468 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 -7.813 2.458 2.508 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 -5.751 15.274 2.347 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 -4.668 39.577 2.365 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -5.171 -5.075 -0.320 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -3.160 16.272 -0.835 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 -0.881 -5.263 -0.227 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 -1.549 -2.942 -4.881 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 15.868 7.287 -13.815 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 -7.896 -8.474 0.061 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 0.154 -5.664 -5.532 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -11.094 -13.119 -21.302 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 7.635 9.505 -12.967 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 -3.293 2.506 -3.616 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 -2.357 -4.800 4.202 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -0.414 -14.170 12.514 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 -6.904 0.840 -4.115 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 -7.219 -0.213 2.092 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 -24.268 -7.796 -3.401 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 1.372 -4.253 -3.671 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -7.952 -4.127 12.038 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 -10.555 -6.024 13.430 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 7.060 -2.067 -0.240 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 10.584 2.722 4.445 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 -0.609 -4.872 3.592 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 -6.108 -6.470 2.338 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -10.626 -8.411 -0.293 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 0.064 -6.863 -18.593 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 6.159 0.996 -11.766 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 9.829 -1.959 -0.909 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 29.644 -7.459 -17.425 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 2.359 1.404 -0.479 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 4.545 -6.627 -4.643 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 1.461 -11.968 -22.223 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 -2.542 -3.332 0.409 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 3.152 2.337 18.495 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -6.465 -8.675 -16.824 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 2.728 -5.439 -1.602 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 -17.111 -13.849 -10.662 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -4.868 11.902 6.197 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 0.778 -1.114 4.118 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -0.343 -4.430 4.181 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -5.170 -13.427 6.611 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 1.837 4.242 6.049 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 9.487 -17.503 0.223 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -2.574 -30.166 -22.192 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 1.106 0.474 1.417 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 -14.704 14.689 -2.186 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 4.888 21.274 12.361 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 8.149 -1.199 3.056 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 -4.984 4.516 0.346 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 13.667 -4.013 5.701 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -3.520 -2.299 -1.114 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 28.192 1.139 16.703 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -3.434 -7.701 8.771 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -5.005 -0.496 2.603 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -1.780 -7.423 -1.412 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 4.621 10.703 14.853 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -9.126 -0.178 -0.140 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 -9.429 6.554 -1.126 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -5.936 0.134 0.954 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 -4.204 -8.259 7.639 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 -2.635 -3.847 -5.856 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 -9.876 -14.051 -7.568 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -3.995 0.010 -0.305 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -3.553 5.840 -16.334 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 -1.666 -0.203 -15.773 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 -4.056 -0.895 -1.502 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -0.557 -1.060 -3.648 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 -3.848 2.372 -0.070 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 -5.223 -8.654 2.752 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 2.212 -7.936 19.948 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -17.799 1.527 13.373 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -1.347 -7.894 -1.231 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -0.126 -7.233 -4.875 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 3.575 -3.741 -8.101 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 4.271 0.973 0.612 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 8.431 0.843 11.906 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 -15.220 -17.784 -7.016 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 -5.655 -1.803 -1.649 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 10.144 -19.946 7.515 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 -20.394 3.264 4.167 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 0.148 2.172 -1.728 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 -15.350 -8.536 26.406 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 10.029 2.206 -11.051 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -0.480 0.791 3.633 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 4.584 9.328 0.529 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 2.821 7.270 1.199 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 1.430 -1.028 6.846 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 5.705 -13.613 10.868 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 7.558 7.658 14.436 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 -7.318 -3.903 1.724 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 -3.593 0.222 -5.488 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 -5.144 -6.018 0.955 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 -0.942 -1.017 -2.040 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 1.468 4.684 9.131 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -24.043 13.333 20.065 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 -1.841 3.047 -3.833 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -6.153 -1.791 9.721 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -0.750 -3.028 -8.242 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 6.202 -2.902 -4.182 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 4.383 -2.625 -14.638 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 0.703 -4.720 2.230 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -4.197 4.946 0.462 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 -10.574 -11.490 -10.461 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 22.724 16.817 7.510 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 -6.263 0.610 1.521 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 -6.863 11.195 -12.413 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 -18.913 -3.450 -19.312 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 4.696 -5.667 5.189 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 4.558 -22.632 -13.793 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -5.506 -3.764 9.533 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 0.237 1.499 4.885 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 10.043 -3.863 -2.704 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 0.617 -6.926 -3.451 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 -0.141 3.151 -0.406 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 -14.029 37.638 -6.318 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -21.329 -9.027 18.384 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 0.055 -2.571 -2.524 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 -5.861 17.747 -0.852 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 -0.143 -15.547 -15.767 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 -2.358 -4.546 -6.909 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 -28.644 5.419 -21.999 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -9.580 15.725 -12.264 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 0.831 -0.701 0.412 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 24.211 -19.878 -2.440 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 18.414 -16.089 -2.697 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 3.241 2.387 -2.401 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 6.150 -4.232 -15.804 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -8.142 -5.463 0.870 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 3.489 -7.051 -0.066 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 -5.921 -12.812 -1.589 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 -1.601 -2.893 5.285 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -2.000 3.231 -2.770 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 0.886 -29.030 -0.228 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 8.589 -9.847 -12.066 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -9.416 -3.249 -3.705 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 0.769 -4.563 -8.330 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -12.235 7.558 13.476 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 5.427 -4.599 -6.496 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 13.672 -12.398 -4.755 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -32.216 -9.480 -11.757 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 -0.722 -0.020 -0.583 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 -0.360 -10.624 16.926 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -1.729 10.263 35.860 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 2.009 2.604 -2.591 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 3.088 -16.807 -13.150 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -5.715 27.255 11.449 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 -6.635 -0.164 -0.571 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -8.928 -37.022 -4.538 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -20.431 -2.501 -8.822 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -7.553 -0.020 -5.336 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -6.444 1.947 -2.063 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -2.688 7.982 11.204 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 -2.524 -5.028 3.544 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 9.549 37.660 6.237 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 0.611 3.468 4.472 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 -1.501 -4.008 -0.918 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 12.773 4.580 -8.502 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 2.864 -0.153 -6.177 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 2.164 0.143 5.565 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 -17.771 16.105 -29.367 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 4.281 2.351 9.040 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 -2.253 -3.252 -0.188 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 -0.181 11.423 29.365 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 2.757 9.406 7.316 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 1.898 -0.361 3.368 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 8.343 14.816 22.183 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 7.518 8.221 15.610 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 4.031 -5.689 -1.803 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 14.097 -6.764 -0.415 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 0.409 -12.763 2.021 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 -0.019 -2.385 0.924 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 1.411 -15.424 -3.929 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 1.845 -8.220 -5.380 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -9.583 1.121 -1.021 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -8.497 -7.145 -3.830 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 2.341 -12.137 18.761 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 -5.229 1.036 -2.582 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 -12.143 -8.377 7.012 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 1.973 10.521 -4.536 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 5.631 -0.171 -0.926 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 5.818 -0.957 -1.856 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 6.349 -0.055 -1.036 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 8.761 -3.616 0.028 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 10.706 -5.203 -5.350 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 4.768 -2.547 2.993 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 3.198 -3.374 1.918 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 8.568 -3.844 0.866 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -10.146 3.183 6.142 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 -4.932 -6.954 4.806 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 15.808 -11.976 1.094 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 -20.547 -8.151 13.199 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 0.912 -5.288 7.964 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 -1.327 21.765 -13.087 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 -1.563 12.580 -8.487 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -3.194 2.110 3.858 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 2.565 -4.997 15.047 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 11.820 -10.082 6.339 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 -0.137 -3.493 0.133 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 25.948 -1.244 -5.438 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 3.228 -11.142 24.141 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 -2.015 2.782 -0.591 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -17.802 6.775 -3.085 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 -3.025 -12.429 0.603 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 -1.883 -0.089 -0.354 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 9.498 1.626 -0.801 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 -2.906 5.223 18.794 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -2.823 -4.098 -3.695 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 -8.229 -22.655 -10.073 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 0.279 -9.701 -7.191 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 6.218 -3.383 -2.318 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 4.949 17.058 -28.623 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 4.696 -7.328 8.550 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 -2.634 -0.611 7.839 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 -23.283 -11.120 -4.459 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 1.119 -17.911 2.695 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 1.672 0.935 -7.579 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 11.948 -5.710 6.543 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 8.575 6.000 -18.688 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 2.376 -2.701 -3.851 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 10.000 -3.446 2.898 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 0.895 9.701 14.343 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 1.953 0.479 -6.426 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 4.090 -3.293 -6.861 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 6.871 -3.411 12.407 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 -2.332 2.814 3.559 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 7.310 -11.797 -21.519 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -12.233 18.789 -12.965 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -3.567 0.933 -6.160 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 7.054 2.696 12.001 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -25.813 -15.595 -11.307 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -2.113 -1.602 -4.420 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 0.841 9.281 12.138 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -40.062 2.819 4.768 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 -2.815 -0.340 7.311 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -9.242 12.098 -13.786 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -5.897 9.686 -5.458 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 1.034 -4.059 2.024 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 0.089 0.517 2.467 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 -1.351 -6.200 1.860 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 3.945 2.126 2.389 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -0.218 -21.868 -2.349 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -3.546 -10.411 21.581 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 0.035 -3.046 -1.590 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -10.495 -8.044 5.548 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 18.905 3.643 -6.831 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 0.763 7.137 -3.358 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 -33.364 13.840 -6.725 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 5.605 -12.748 15.850 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 -1.581 -2.122 -5.916 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 -10.082 4.392 11.596 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -2.057 -5.617 -1.109 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 0.524 -3.261 1.208 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 -3.261 9.218 -2.911 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -4.224 3.049 -10.237 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 7.837 -5.233 -2.790 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -9.134 -15.896 3.162 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 0.197 2.398 26.005 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 3.034 4.035 -1.315 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 11.007 4.500 1.909 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 -2.575 12.906 -30.094 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -3.293 -4.588 -5.183 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 -2.425 -7.789 -10.437 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 0.295 3.545 -3.838 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 1.018 -1.283 1.270 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 -8.451 -17.685 7.686 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 -20.407 -12.557 -0.089 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 4.543 0.773 0.665 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 5.236 -0.856 8.548 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 2.388 10.137 0.885 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 7.163 -2.793 -5.841 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 1.666 -2.000 20.052 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 3.419 -3.501 7.647 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -0.124 -3.727 -1.300 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -4.633 -8.181 0.362 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 4.850 -12.799 -17.928 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -2.373 9.284 1.397 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 -5.775 15.220 2.670 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 9.260 13.919 17.573 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 -2.796 -8.087 1.628 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 -5.565 -0.252 -20.197 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -6.218 0.647 18.585 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 0.704 3.353 2.689 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 7.368 -10.245 -18.833 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 -7.300 -2.441 -1.945 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 1.249 5.027 3.428 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 -6.619 23.556 -9.221 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 18.704 -4.477 -9.263 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 0.919 4.765 -3.093 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -6.061 27.294 -7.226 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -4.263 1.022 -1.080 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 2.121 8.769 1.268 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 2.743 10.972 -6.110 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 5.981 -1.505 4.203 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 3.357 -0.314 3.088 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 -2.169 12.763 -9.162 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 10.060 9.131 17.602 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 0.095 0.317 -3.319 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 -8.512 2.736 19.681 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 2.015 -1.282 -2.730 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -0.296 5.517 1.664 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 10.119 -8.798 5.757 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 17.983 1.695 -16.374 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 3.751 -5.388 -2.674 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 1.838 -8.005 -11.368 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 2.974 -25.414 13.802 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -1.337 -3.856 -1.005 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -0.526 -3.555 -1.380 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -15.869 -10.703 11.409 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -3.592 -6.574 -0.884 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 15.398 -1.657 -10.783 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 21.138 -5.796 -18.901 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 0.152 3.438 -7.700 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 10.244 -11.585 -8.057 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 -3.023 7.611 -10.895 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -0.774 1.685 4.946 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 4.909 -11.383 29.934 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 -11.846 6.443 -4.098 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 -1.111 -0.821 3.151 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -3.421 4.728 10.701 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 -3.274 -45.151 -1.351 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -2.151 -6.035 1.201 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 -4.299 1.675 1.286 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 -10.847 -45.654 8.432 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 -3.621 -1.659 -0.182 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 1.532 11.995 -10.025 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 -11.928 -9.503 2.630 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 0.775 4.678 -6.652 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 -10.004 11.309 -29.261 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 1.073 -3.803 -2.281 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 -0.813 -3.839 2.469 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 0.245 -3.524 7.442 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 0.647 0.262 -4.921 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 -2.665 -3.150 -6.442 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 8.431 12.960 7.559 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -8.807 -34.703 12.411 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 1.081 -1.835 -2.120 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 0.130 -10.510 1.093 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 -1.854 -1.263 -8.853 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 4.101 -1.347 0.317 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 2.031 -4.226 -14.964 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 11.137 -6.738 -21.342 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 -4.470 0.327 3.281 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 9.588 -3.338 8.119 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 6.544 5.788 -24.217 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -0.519 6.380 1.484 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 3.379 19.372 -14.854 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -3.265 -3.923 -5.566 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 0.526 -1.658 1.576 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 -7.821 -10.090 13.098 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 6.218 5.881 -11.012 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 4.899 0.505 -3.110 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -12.576 12.649 -1.368 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 10.858 4.280 2.062 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -2.977 -6.823 -1.373 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 3.269 2.791 -3.351 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 21.952 -12.831 25.489 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 -7.541 6.411 5.531 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -17.957 1.409 -1.333 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 3.026 8.124 10.623 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 -0.059 1.384 1.895 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 1.979 -0.754 10.588 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 -2.973 -5.815 -2.777 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 -3.812 2.439 0.531 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 17.133 -1.292 -6.778 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 -11.818 13.260 -10.714 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 1.968 -0.988 0.928 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 -4.242 -4.091 -10.554 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 19.897 6.085 -6.788 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 -3.187 -3.658 0.106 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 25.877 -15.009 -17.962 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 -14.578 0.311 5.832 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 -1.052 -11.060 -2.502 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 7.833 -22.978 -2.633 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 4.400 -4.040 -0.058 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 -1.557 6.495 1.476 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 2.383 6.114 -6.127 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 19.366 -3.343 10.942 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -3.267 -1.548 -8.902 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 -13.508 4.785 -1.078 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -6.269 -10.251 -3.890 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 1.923 0.059 -3.843 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 7.752 5.333 17.329 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 8.835 14.243 -6.226 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -3.025 -1.916 -5.960 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 -9.784 13.060 -13.924 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 -17.998 9.384 14.271 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -3.624 1.936 -7.947 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -14.806 -19.285 -17.606 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 0.302 -43.471 -8.428 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 2.304 0.072 -0.014 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -6.659 1.983 -6.116 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 3.541 7.749 5.819 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 -5.271 13.365 -0.344 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 10.821 14.173 0.393 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 15.717 -1.899 -1.053 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 0.538 4.003 1.338 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 10.676 -0.349 5.311 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 4.064 7.198 5.668 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -8.089 4.778 -2.137 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 -9.682 -0.666 6.873 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 6.138 -4.944 6.701 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 -3.771 2.334 -1.156 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 13.355 -13.112 10.403 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 16.433 -18.501 -14.436 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 0.401 -7.499 -4.676 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 -0.362 -5.354 -3.903 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 -0.017 -3.156 0.738 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 1.451 -0.266 -5.666 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 -9.848 1.722 8.672 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 -0.120 -3.334 24.826 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 1.130 8.136 -2.792 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 -8.385 -38.800 -6.753 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 -10.196 5.402 -35.525 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 2.823 5.620 3.447 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 0.323 5.794 -0.999 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 6.787 -5.253 -4.854 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -0.894 0.059 -7.973 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 8.135 -13.899 13.085 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 -0.500 -39.011 17.155 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 4.156 4.550 -0.909 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -1.564 12.134 -8.650 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 12.571 -0.739 -9.565 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -4.126 5.851 6.275 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 6.422 0.790 12.157 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 10.956 -3.619 13.324 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 0.796 3.729 -3.755 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 -10.169 3.951 6.826 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 -15.490 35.684 41.201 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 -2.448 -3.964 -2.605 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -11.302 -3.715 -2.092 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 1.890 11.995 4.023 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 2.538 0.219 -3.895 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 6.525 16.606 1.961 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 8.094 8.368 -0.124 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -7.056 0.977 -0.233 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -22.492 19.714 -0.767 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 8.469 2.281 -4.166 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 0.651 -4.555 1.559 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 9.358 -17.700 -0.495 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 10.347 -15.266 -7.562 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 -3.062 2.278 -0.598 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 6.246 13.752 12.090 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 1.879 7.254 3.273 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 0.148 -3.211 5.241 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 0.631 3.876 5.234 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -0.375 -6.948 -0.937 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -5.927 1.943 1.336 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -3.123 -7.619 11.138 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -12.293 11.593 -3.325 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 2.748 1.895 -0.850 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -0.467 -0.776 -4.938 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 0.353 36.142 9.490 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 4.451 4.220 5.147 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 -23.291 10.017 4.444 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 -7.810 14.654 19.282 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 1.347 -1.236 -8.380 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 -5.525 3.174 6.362 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 23.190 -22.024 -12.891 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 2.048 -3.433 4.041 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 -2.306 -11.363 -4.191 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 4.923 -5.735 -0.948 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 2.875 2.326 -3.976 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 -0.406 -13.658 17.465 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -12.958 -7.194 -5.411 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 -5.672 -2.687 0.037 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -4.473 -7.087 -3.805 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -4.491 4.903 5.759 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 -0.306 0.349 1.311 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 13.553 3.294 -6.964 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -3.847 1.719 0.890 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 5.989 -1.065 1.093 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -20.619 29.731 20.951 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 20.641 11.653 -15.993 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 -5.686 1.825 2.328 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 2.415 4.120 13.558 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 16.789 2.679 12.130 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 1.018 -2.097 -3.534 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 -24.322 11.456 2.132 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -5.388 7.034 -3.156 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 1.032 8.034 -0.956 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 2.463 1.947 3.876 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 2.562 8.203 -6.800 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 0.487 -4.162 -0.329 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 13.700 14.102 -2.695 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 -12.650 0.332 -7.690 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 0.021 -4.540 -0.059 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 4.009 2.489 -6.822 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 0.006 -11.553 -1.045 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 0.426 -5.438 -3.880 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 14.274 -2.933 9.831 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 -3.108 0.700 -9.997 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 3.660 -3.450 10.230 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 -1.728 8.053 10.859 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 0.780 0.089 11.727 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 0.056 2.606 -5.716 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 2.639 -9.670 8.832 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 7.333 -5.192 2.255 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -0.477 -2.322 -2.912 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 -27.958 10.984 5.263 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 6.761 -2.794 5.160 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 5.912 -0.392 0.404 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 -2.345 1.594 -6.724 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 -21.943 29.680 14.454 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 -0.638 5.146 1.463 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -3.795 -10.776 -7.840 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 -14.961 -26.185 -12.911 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 2.988 0.383 7.067 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 6.472 -0.478 13.443 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 11.865 9.709 5.181 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 2.173 7.643 -0.897 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 12.417 17.267 -9.841 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 0.599 -12.492 12.339 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 -5.012 -7.058 3.041 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -4.859 -11.509 -6.347 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -4.924 6.347 25.292 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 0.281 -2.291 0.479 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 2.580 -4.011 0.837 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 -3.024 -1.439 1.061 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 -4.996 2.593 -0.855 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -6.414 3.282 0.892 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 -6.820 3.338 -0.455 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 -2.733 -7.521 -0.829 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 -5.046 -5.683 -10.579 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 -8.889 -8.534 3.688 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 2.505 -3.995 3.821 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 1.254 3.185 14.919 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 9.783 -8.799 -1.481 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 -6.097 -0.221 0.237 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -2.858 33.602 -10.464 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 15.694 3.951 -20.135 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -1.756 -5.557 -2.437 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -3.175 1.842 2.465 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 -3.005 -3.834 1.002 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 1.655 6.401 1.783 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 -6.848 5.786 -3.045 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -0.719 7.180 3.981 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -1.738 9.244 8.415 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -6.983 9.308 1.864 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -0.158 14.382 5.714 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -0.385 1.407 -3.335 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 2.323 -10.702 -2.877 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 13.416 15.624 7.455 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 2.848 3.960 6.679 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -12.268 -7.635 -7.541 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 -12.133 20.582 -22.156 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -3.495 2.500 3.902 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 5.938 -0.097 -24.515 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 -16.532 -12.014 -0.437 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 -4.861 -3.633 1.159 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -7.169 -9.601 -5.151 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 -0.705 3.260 15.951 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 3.812 -1.273 -3.678 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 12.098 -9.637 -1.118 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 17.896 -7.635 14.476 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 -3.278 6.118 0.793 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 -5.368 20.120 -7.242 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 -9.657 8.998 -17.120 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 -8.156 6.559 -2.569 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 0.604 6.898 -13.472 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -11.964 -0.900 -9.704 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 -8.518 0.241 5.604 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -2.785 14.391 -2.033 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 0.150 -9.609 -2.652 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 -5.673 -6.851 -5.561 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 -0.482 9.516 -5.103 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -9.868 -13.523 13.574 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 -5.759 0.365 7.123 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -1.894 -12.034 9.048 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -11.132 -31.996 -16.368 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 8.253 1.056 -4.966 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 5.459 3.385 -1.618 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 6.748 17.549 -3.583 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -3.159 0.650 2.643 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 17.264 -7.554 17.062 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -4.757 -9.046 -0.619 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 0.222 -2.528 4.133 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 -8.336 3.901 8.535 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 -2.758 -12.678 1.820 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 2.820 -2.028 -2.497 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 18.885 -10.790 6.055 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 10.367 12.129 10.665 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 5.055 0.822 -3.147 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -16.600 9.353 19.460 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 -9.012 5.576 32.784 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 -4.061 4.741 1.504 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 -5.770 10.820 2.280 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 1.474 -4.605 6.623 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 0.204 6.317 -2.019 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -6.262 4.966 -4.815 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 4.276 3.146 4.181 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 4.932 -1.560 -1.154 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 0.631 -16.820 -13.084 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 33.522 0.864 14.852 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -4.710 2.835 6.859 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 3.413 -1.090 9.299 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -0.209 -8.819 -10.856 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 1.273 -8.673 6.975 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -5.511 -3.346 1.915 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 -0.830 -16.748 11.044 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 9.206 1.137 -2.491 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 8.979 21.811 -0.887 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 7.295 -4.047 -10.181 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 -4.162 -2.404 -2.488 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 0.215 -7.375 2.043 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 -18.271 -8.942 -3.247 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 0.024 -2.165 -4.919 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -13.465 28.526 -7.856 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -1.887 -11.686 -1.512 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 -0.478 -4.055 3.272 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 0.893 -0.404 1.590 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 -3.875 -10.718 5.368 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 -2.697 3.523 -5.260 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 10.876 9.720 1.681 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 -8.090 -2.932 5.862 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -2.518 2.550 6.826 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 -2.759 -3.235 6.541 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 -7.640 1.223 -3.317 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 1.922 4.242 0.564 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -12.815 -9.257 -23.132 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -7.794 -1.169 -5.587 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 6.876 8.465 6.062 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -6.907 -19.802 0.832 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 -11.665 20.182 16.329 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -3.543 3.755 7.593 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 2.937 5.007 4.218 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -3.996 -1.343 5.937 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 -2.328 -1.601 5.394 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -5.450 5.380 -0.972 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 0.535 1.440 17.311 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 3.807 -8.099 0.797 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -1.513 -0.515 7.216 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 12.827 -4.771 8.791 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 -1.261 -6.089 -5.492 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -13.356 -12.491 3.127 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 1.604 -6.216 -4.105 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 -4.325 -2.299 -2.023 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 -11.513 -7.500 -3.778 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 -6.001 -6.959 -13.577 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 1.511 0.577 -0.304 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 18.545 -3.321 -1.849 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -1.186 7.163 17.419 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 0.477 -5.672 6.741 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -3.263 24.656 1.945 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 2.425 -17.126 6.077 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -1.577 -2.918 -2.869 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 -1.078 12.154 1.337 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 13.803 -11.302 -8.864 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 1.147 -5.430 -3.158 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 15.005 -30.655 7.491 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -12.779 8.959 20.680 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 0.595 -1.747 6.067 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 -6.834 1.096 -10.498 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -0.685 2.495 -0.925 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -0.114 4.379 -1.885 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -5.778 0.867 9.034 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 19.891 14.722 -35.475 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 -3.398 -5.964 1.749 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 27.263 -16.721 -6.651 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 -6.537 -7.366 -1.493 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 1.551 -6.430 0.801 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 0.509 -35.625 6.716 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 0.956 33.718 -14.794 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 1.719 -5.939 6.962 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 8.520 -1.117 10.062 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 18.830 -16.466 17.133 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 -6.952 5.009 -3.460 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 -24.642 12.126 -15.652 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -4.347 5.347 6.089 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -0.649 0.245 -4.164 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 3.817 -5.971 -10.737 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 -8.158 0.680 -0.301 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 -1.237 6.513 3.477 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -0.240 -4.615 -1.197 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 8.908 22.533 -7.364 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -3.745 -0.624 -4.841 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 9.687 -1.659 1.624 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -4.610 -12.496 12.882 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 1.493 -5.648 -6.183 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 16.602 -19.464 3.793 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 10.514 9.477 -7.540 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 2.328 -0.896 2.015 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 -10.753 -11.281 -3.373 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 -10.716 -30.423 -24.533 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 3.403 -2.128 -1.143 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 20.104 -7.240 6.831 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 -5.922 2.748 -1.872 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 1.658 4.463 -5.629 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 -2.642 8.393 -9.795 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -4.457 3.003 18.975 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 1.800 -1.907 -3.942 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -14.797 -9.404 3.593 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -18.877 -6.050 3.289 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 3.563 5.779 -1.950 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 1.151 17.923 5.375 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 0.093 10.932 -0.354 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 4.854 -2.139 2.193 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 6.723 -17.865 4.135 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -6.299 -2.127 -8.095 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 -8.373 8.057 6.762 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 7.856 17.239 9.787 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -8.675 6.221 4.255 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 -1.097 1.059 -2.936 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 3.960 -1.041 10.464 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -0.363 16.440 -15.442 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 1.194 -1.373 1.109 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 1.221 7.340 -6.653 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 9.618 -21.470 19.278 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 4.019 0.510 -1.241 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 4.983 -3.091 0.180 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 1.309 -1.780 -5.066 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -0.685 5.564 -5.896 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -20.038 -11.129 0.787 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -8.437 -2.092 2.439 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 -0.206 1.514 -1.932 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 0.637 -6.559 16.769 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -1.311 -18.439 -3.091 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 -1.594 -0.589 0.481 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 13.913 12.811 2.168 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 16.549 -15.461 4.597 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -4.778 -4.043 -1.530 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 -1.865 3.334 -8.673 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 -13.909 -2.437 0.796 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 4.246 0.408 1.988 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 16.229 28.306 12.699 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 1.713 1.536 3.642 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 -8.810 4.004 -5.630 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 -1.084 -0.268 -5.798 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 -19.629 -7.290 9.003 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 -0.779 2.604 -1.489 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 -14.389 -9.968 7.402 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 -12.397 3.007 3.132 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 -2.133 5.762 5.120 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 7.653 1.246 4.360 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 7.037 1.989 12.647 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 1.084 -3.990 -4.485 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 13.150 0.291 -1.646 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 6.055 -9.695 0.048 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 1.134 4.247 8.874 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -11.297 -4.258 5.840 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 -4.452 -16.428 -5.020 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -11.271 -5.082 4.922 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 -26.430 1.571 -12.600 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 -13.357 5.499 18.397 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -2.296 4.549 3.911 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 6.310 -23.498 -28.820 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 9.237 10.802 9.831 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 2.386 2.295 0.429 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 9.829 30.425 19.243 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 7.509 14.811 14.606 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 6.038 -4.366 2.825 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 1.937 -7.782 4.901 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 14.246 6.308 -1.185 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 2.606 2.086 1.513 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -0.159 3.175 -2.279 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 12.951 -0.457 12.352 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -1.777 -0.909 -0.470 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 24.327 -3.682 -3.029 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -1.876 8.585 -7.745 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 -2.679 -2.904 9.189 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 26.965 15.388 -1.641 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -5.462 -3.759 8.495 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -1.240 1.798 -0.243 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -1.671 4.910 -6.872 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 -11.644 11.039 -30.719 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 0.590 -10.391 4.366 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -5.962 -1.912 12.808 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 12.391 2.052 1.491 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -0.001 5.577 -0.022 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 3.706 3.136 -2.690 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 3.115 1.266 -2.660 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 3.210 7.473 -4.160 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -1.206 3.373 -8.630 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 4.121 -10.044 1.398 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 -0.397 1.669 -6.557 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 2.200 16.197 2.072 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 6.341 36.596 12.565 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 -2.490 -3.821 -3.146 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 -0.541 -4.800 -5.804 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 27.448 19.764 21.739 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -1.220 -6.335 1.874 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 1.692 18.605 1.642 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -21.123 -10.542 -12.533 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 3.531 9.110 -0.716 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 -2.206 16.844 4.580 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 13.025 9.495 1.366 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -10.603 6.381 4.367 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 -5.812 5.222 -11.242 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 -3.585 6.735 13.028 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -8.844 -0.242 3.515 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 -10.843 -15.000 -4.944 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 4.698 8.234 8.114 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 1.153 1.636 3.961 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -2.254 -11.468 10.930 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 16.873 3.162 2.129 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 8.932 7.460 6.728 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 -2.406 18.382 -12.335 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 15.323 3.809 6.643 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 4.799 2.180 -1.665 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -14.042 -9.750 -6.513 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -0.173 11.925 -23.557 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 2.908 1.596 2.797 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 2.741 -5.445 -8.612 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -0.905 12.633 -4.207 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 4.422 4.791 -3.958 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 2.984 -0.630 9.342 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 12.678 19.462 -1.937 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -0.158 -2.140 -1.483 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 15.475 17.717 -10.706 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -13.767 10.696 2.767 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 2.371 -0.049 -1.898 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 1.806 5.369 -23.527 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 8.031 -23.234 -0.223 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 5.501 0.622 -1.997 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -11.226 -42.761 -0.599 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 14.727 20.474 -4.160 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 -6.039 -5.899 2.734 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 1.846 7.053 3.541 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 -6.569 -5.716 21.526 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 -1.622 1.737 -1.662 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 7.504 30.429 12.957 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 8.664 22.547 14.188 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 -3.767 0.979 -5.163 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 17.572 4.273 -5.844 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 0.295 -23.130 -7.312 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 -2.140 1.220 -5.124 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -17.739 19.015 34.372 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -3.480 14.460 21.902 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 0.843 5.934 0.680 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 0.622 22.353 -12.782 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 12.458 20.241 -22.227 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -4.943 0.681 3.991 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 -8.739 -33.816 9.096 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 12.677 -4.524 27.692 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 3.192 -4.274 -5.124 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 0.009 -11.988 -1.848 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 11.028 24.537 -13.098 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 -0.053 -3.154 -3.526 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 4.033 1.844 -7.360 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 3.578 -5.879 4.957 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 7.181 1.462 4.612 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 27.609 -17.828 18.303 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 -6.231 4.923 20.489 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -3.275 0.201 -1.089 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 -7.762 1.839 2.434 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -6.999 -4.530 -3.774 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 1.411 -3.509 -6.254 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 4.990 -7.065 -3.875 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 16.001 21.531 0.496 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 1.581 6.746 1.010 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 0.727 2.977 -1.877 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 0.029 13.218 0.455 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 2.053 0.363 -3.845 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 2.966 3.993 -11.757 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 7.741 6.792 -12.196 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 1.600 0.391 2.667 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 6.964 -1.018 17.613 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 4.822 -11.632 25.768 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 2.488 6.407 0.262 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -1.001 7.472 2.141 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -0.511 1.609 -5.916 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 2.627 1.745 -0.017 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 26.202 9.652 12.674 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -0.437 3.742 -20.652 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -2.016 -3.820 -10.451 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 7.874 -4.514 -35.194 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 6.135 6.934 1.136 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 -4.872 3.024 -0.503 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 -4.750 -7.113 -3.984 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 -11.122 11.916 8.349 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 4.967 0.613 -2.221 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 11.843 -21.821 15.870 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -11.110 5.357 6.399 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -3.147 -4.416 1.668 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 4.226 17.074 -3.423 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 12.490 0.106 3.674 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 0.894 -5.614 2.108 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 10.245 -7.166 -2.554 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -16.553 -16.611 17.589 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -5.144 0.887 -0.612 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 -4.092 -23.352 -8.974 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 7.197 5.554 -12.999 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 -1.582 -3.241 6.644 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 -6.410 -7.406 17.921 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 10.434 -2.584 -4.289 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -5.671 -4.732 -6.663 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 24.978 20.152 -16.773 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -17.202 -2.082 -2.654 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -5.677 -1.183 4.495 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 12.237 6.401 6.101 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -6.211 3.431 0.237 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 -2.743 -8.059 -5.155 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 4.873 -10.246 6.596 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 -6.908 4.925 3.362 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 -0.589 -4.259 -3.914 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 4.604 -9.671 14.510 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 0.443 0.984 9.839 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 3.129 4.096 2.412 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 3.574 6.050 -0.245 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 24.554 -9.495 -20.752 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 0.216 7.069 -2.967 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 2.573 -31.600 15.969 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -11.705 26.246 -14.613 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 1.374 -2.750 5.367 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 2.819 -9.684 6.369 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 -10.941 16.620 1.427 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 3.242 -2.912 -1.449 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -2.721 0.698 0.140 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 5.107 -7.124 2.901 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -2.390 -4.219 -0.628 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -3.855 -3.818 -14.907 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -3.666 11.456 6.452 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 5.184 7.020 -2.575 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 7.950 5.178 4.679 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 10.689 12.943 -3.770 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 -5.291 -1.712 1.187 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 -3.535 -0.533 -20.386 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 -4.059 -7.819 -3.805 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 1.428 -0.727 1.729 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 1.928 -2.482 11.329 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 23.610 -3.774 3.449 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 -5.163 -4.765 -2.997 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 3.366 3.911 3.640 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -9.843 -5.216 -3.984 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 3.653 -4.137 0.179 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 3.444 -4.161 0.012 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 12.166 -5.285 28.526 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 0.353 -2.703 -0.337 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 13.808 2.763 -3.554 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 8.680 -2.982 20.176 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 3.772 0.628 -1.630 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 1.878 -2.024 0.459 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 16.417 10.438 -13.234 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -3.856 -4.201 -0.563 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -7.163 -10.214 -3.729 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 7.547 4.528 9.155 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 1.088 -8.108 -0.698 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 16.905 -2.196 4.914 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 -34.286 -26.169 -15.787 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -5.885 5.207 2.870 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 10.040 -4.200 3.216 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -19.480 1.618 -4.900 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 -2.528 6.267 2.765 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 8.083 -4.138 -8.821 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -9.844 9.179 -2.834 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 -0.780 1.781 -2.069 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -1.050 -11.692 -33.952 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -13.503 10.886 1.970 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -0.844 5.404 2.672 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -8.351 7.010 4.831 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -9.746 9.804 6.052 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 0.663 -1.368 1.038 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 3.352 -4.902 -0.946 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 12.714 -10.650 -0.554 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 0.487 0.949 -1.711 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 1.506 -1.062 -9.237 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -2.315 0.205 -14.888 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -5.450 -5.847 6.895 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 -13.028 -21.514 14.859 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -13.824 -0.216 12.507 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 -1.447 -5.053 3.473 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -1.367 -3.514 2.628 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -3.803 6.076 11.847 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -2.012 2.878 -2.971 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 1.617 7.835 3.629 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -9.458 2.322 3.311 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 4.213 -5.342 3.025 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 -10.912 -12.688 19.419 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 -6.004 -7.938 15.231 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 -1.017 -6.514 8.103 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 8.821 10.730 1.916 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 -5.906 -19.734 11.250 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 2.530 2.026 1.952 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 -26.571 -3.959 -0.874 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 14.553 6.451 3.914 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 5.321 -0.485 4.185 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 8.322 -4.597 -4.917 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 16.274 8.569 9.932 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 4.686 -0.228 -3.340 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 4.904 7.823 0.999 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 2.078 3.156 -6.075 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 0.128 -3.767 -2.566 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -6.533 10.648 -4.930 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -3.063 3.585 -3.011 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -8.448 -6.111 -1.990 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 -13.193 -10.120 -6.801 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 -14.763 -7.364 10.992 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 2.190 0.614 0.803 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 -1.390 13.214 -18.960 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 -12.554 -7.571 -12.352 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 5.815 3.152 -0.898 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -18.731 -10.151 -13.923 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -15.998 0.385 -24.592 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 4.815 7.052 3.587 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -6.152 8.181 11.509 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 13.778 -7.698 9.338 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 10.561 4.198 -0.052 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 2.625 4.629 -8.609 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 8.479 -12.652 -4.072 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -0.706 0.081 2.785 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 19.341 15.087 -16.114 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 5.681 -25.291 23.105 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 0.119 1.809 -4.820 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 1.514 1.028 4.706 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -1.530 6.803 -5.914 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -1.174 -1.748 8.212 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -9.206 0.468 4.503 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 6.764 2.133 -20.579 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -4.833 -0.675 -2.390 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 17.764 3.545 -18.491 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 17.281 -0.722 -3.511 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -3.644 -2.659 -1.390 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 -3.635 -3.049 1.787 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 1.169 -0.122 -2.337 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 1.301 -8.773 -3.355 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 -4.146 23.621 -13.294 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 1.200 11.004 -10.622 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 -4.030 -3.358 2.306 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -9.937 -14.813 10.969 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 18.348 14.623 10.202 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 3.006 -5.507 3.004 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 7.472 -11.457 2.363 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 4.393 6.903 -2.171 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 0.372 -1.642 -5.517 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 7.282 2.620 -15.780 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 1.693 -0.569 -10.775 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -3.512 7.051 -2.926 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 6.278 12.237 -12.649 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 -5.085 8.926 -4.300 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 0.486 8.521 0.089 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 13.138 -7.297 -5.863 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 1.578 0.414 -2.527 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 1.742 -1.467 11.837 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 1.958 -8.834 18.000 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -10.280 -11.728 4.288 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -2.425 -5.414 6.500 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 4.556 -11.168 12.597 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 6.598 -28.054 21.186 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 2.824 0.496 -0.383 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 3.116 -4.565 32.234 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 4.894 -0.218 -11.346 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -1.562 0.208 -2.018 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 -1.957 -22.211 -12.139 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 35.211 2.349 -12.158 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -0.087 -2.225 -1.213 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -2.827 -0.901 1.026 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 1.281 -7.484 3.379 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -1.333 -10.055 2.634 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 -2.058 -6.482 -8.200 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -3.385 -2.321 14.994 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 3.088 -0.679 -2.800 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 -11.565 22.756 9.314 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 10.006 -14.448 17.952 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -4.744 -2.973 -6.101 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 2.176 11.305 -3.180 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 -3.325 -20.573 12.458 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -1.916 8.599 7.143 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -4.883 22.664 -12.772 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 20.266 5.830 3.442 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -6.902 -2.698 -0.265 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 13.571 -13.943 -7.527 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -19.484 -4.370 -11.330 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -2.505 1.042 -4.344 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 16.878 6.716 20.450 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 -10.261 -29.525 3.702 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 2.036 0.137 -0.623 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 1.068 -15.033 -8.740 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 2.710 -2.546 9.151 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 0.774 0.936 -4.610 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 -10.181 5.526 -24.363 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 3.047 7.732 -8.065 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 2.122 -5.319 0.598 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 25.884 -0.791 -16.688 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -4.970 13.144 10.404 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -1.057 0.608 -1.251 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 6.112 21.460 22.633 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -15.027 -8.720 -3.095 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 0.058 6.565 -4.177 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 -12.225 19.880 -7.244 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 11.127 6.824 -17.591 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -7.004 -7.303 -1.971 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 13.967 -28.276 14.964 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 2.734 -18.275 11.805 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 1.551 1.684 9.579 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 -8.306 -8.956 17.217 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -7.236 -10.804 6.982 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 -4.553 -2.475 -4.226 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -2.022 3.528 -10.019 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 7.011 18.458 -6.015 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 -0.675 1.913 3.231 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 -22.176 -19.744 -6.874 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -7.218 -6.195 0.400 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -4.218 8.139 -5.335 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 2.904 32.931 10.208 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 1.344 -0.754 4.226 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 4.042 0.240 1.353 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 10.648 2.394 -22.688 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 -14.635 2.462 -0.135 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 -0.240 -2.426 -1.267 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 2.566 8.874 3.609 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 8.285 -4.742 -12.032 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 4.079 -5.882 3.305 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -10.034 -3.276 -4.806 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -28.827 0.320 -10.942 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 -3.770 -7.703 1.087 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 -2.072 6.432 -19.981 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 18.131 14.215 0.232 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 7.976 0.111 0.779 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 7.030 -0.134 4.139 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 12.646 -4.471 1.353 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 -1.977 -4.782 -0.454 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 19.717 -0.087 18.324 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 -13.380 -12.264 -8.262 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 4.238 -2.547 1.898 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -4.200 22.912 27.225 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 14.813 19.981 5.410 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 2.295 -6.963 8.250 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 1.294 5.521 1.179 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 5.467 -23.472 -13.240 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 -6.647 2.078 3.891 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 -21.220 -12.199 9.799 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 1.103 -10.362 1.988 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -0.576 3.399 1.534 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 7.882 0.235 -2.643 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 0.101 4.138 -13.396 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 0.689 -4.312 -3.476 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -8.194 3.806 2.644 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 3.011 -13.571 4.874 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 1.781 -3.572 6.545 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -0.479 -2.946 -5.397 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 -10.421 -6.523 7.553 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 -6.526 3.316 5.697 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -13.167 -2.395 -1.479 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 -9.171 6.718 16.465 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 -4.393 -1.421 -4.107 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -16.550 0.992 30.442 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -11.147 9.081 -5.579 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 2.744 -1.052 -0.044 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 4.646 -2.765 -3.884 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 -11.427 2.471 14.945 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 0.281 2.860 -2.934 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 13.617 0.614 -15.760 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 6.634 -8.831 -0.635 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -0.888 1.909 1.710 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -5.921 10.152 4.934 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -0.148 7.322 -1.436 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 2.725 1.386 0.318 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 0.835 -10.242 -4.506 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 10.547 -17.729 -14.530 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -1.114 -7.109 6.423 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 -25.450 -2.991 5.054 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 12.247 -6.712 4.706 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 0.822 1.195 -3.628 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 -12.122 -9.319 -11.718 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 -5.093 12.303 7.633 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 1.740 2.054 -4.556 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -17.374 8.641 -30.317 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -8.808 11.452 -31.197 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 -4.152 -0.396 2.596 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 -20.457 -3.442 5.785 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 -8.540 14.660 -8.221 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 -2.926 -0.747 -1.187 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -1.255 -6.043 -2.530 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -16.877 -9.823 12.427 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 4.695 7.313 1.846 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -0.142 6.775 -7.778 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 -2.762 8.195 -10.865 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 -1.568 -6.813 -1.735 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 -26.449 -14.357 4.262 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 10.526 -4.970 -22.833 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -9.540 -1.320 -2.284 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -8.222 -5.274 -3.056 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 -3.694 6.703 0.870 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 1.235 -0.206 0.049 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 18.763 -15.658 12.246 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -3.113 11.984 6.164 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -2.613 0.750 5.331 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 2.454 2.562 4.959 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -8.197 -3.046 5.590 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 0.786 2.789 7.052 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 -15.222 -9.018 5.296 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -1.256 -21.557 -8.838 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 -5.575 -3.349 0.297 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 3.977 -6.837 5.683 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 -9.066 10.529 4.444 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 -7.666 -2.730 -3.098 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 4.781 0.857 -1.707 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 -5.861 -4.415 -2.856 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 -3.006 -1.147 0.073 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 -5.300 5.967 3.060 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 6.353 9.283 12.804 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 -3.083 0.078 3.721 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -22.856 -9.940 -4.751 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 -9.872 7.825 25.085 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 -4.224 -4.170 -3.450 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -4.597 23.257 15.428 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -5.435 16.152 8.791 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 -2.771 -9.205 2.286 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 14.743 -5.207 6.664 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 22.341 -1.697 2.124 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 5.415 6.564 -3.787 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 12.062 -13.196 18.003 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 -27.647 11.866 -2.885 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 7.085 -1.462 3.857 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 5.977 -3.177 0.312 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 14.265 -10.022 -10.182 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 0.713 -5.568 0.207 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -5.935 4.941 3.422 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -20.689 2.049 0.164 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 2.534 -6.352 5.609 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 10.776 3.103 -17.232 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 -6.220 -1.974 -3.522 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 -6.470 -8.921 -2.115 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 13.338 20.551 -29.265 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 1.238 2.387 -9.613 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 6.574 1.380 2.342 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 25.504 10.827 -11.548 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 12.159 -0.207 13.943 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -6.565 -0.217 -8.163 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -14.215 8.652 8.005 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 2.463 12.455 -14.461 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -5.520 7.586 0.730 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -14.951 -8.313 2.777 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -13.443 18.881 14.568 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 0.067 4.622 0.514 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -16.080 -3.836 -23.304 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 15.309 -3.505 8.437 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -1.474 -0.301 6.501 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 7.541 -7.439 28.822 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 -29.138 -4.060 8.436 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 -2.417 -1.620 -6.385 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 -13.703 11.944 -25.516 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 15.474 -21.004 -17.327 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -0.732 -6.421 2.528 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 -0.323 -5.889 -5.529 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 0.711 -1.067 -7.130 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 2.592 -0.501 4.758 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 14.932 7.219 -0.460 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -28.585 -3.299 -20.441 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 6.205 1.086 -7.774 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 8.383 5.882 -16.490 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -4.131 6.406 -5.478 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 -1.447 0.244 3.416 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -0.535 -4.016 -3.373 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -2.505 -24.168 5.106 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -5.384 -2.887 -1.789 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -1.715 -7.804 1.377 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 -8.444 -0.051 3.476 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -0.906 -3.448 4.276 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 2.738 11.453 -2.785 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -1.166 -5.282 6.616 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 3.570 6.838 -0.643 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 4.671 6.583 5.865 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -8.101 -1.969 -15.763 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -4.702 9.929 3.151 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -2.307 11.699 3.264 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -8.740 -2.422 1.461 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 -6.333 -2.711 -1.459 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -0.837 -11.496 7.069 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -5.529 -0.578 -2.571 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 0.808 -2.639 -0.530 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 -5.254 -5.496 3.990 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -0.981 -3.104 0.485 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -6.961 -5.707 -6.664 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 -6.247 -8.055 -6.904 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -11.393 8.444 -0.658 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -7.494 -5.391 -5.070 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 -6.248 2.312 0.385 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -8.649 12.235 -1.678 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 8.483 7.551 -1.629 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 8.717 -7.208 2.244 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 16.875 6.125 -13.482 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 -3.667 -1.397 -0.301 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 -4.101 -8.892 -4.360 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -2.343 13.690 7.901 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -2.145 -5.618 3.096 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -5.742 12.066 1.357 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 1.128 4.932 -19.077 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 -2.111 -4.679 -3.103 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 1.872 -9.020 -6.931 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 -5.931 -9.258 -12.710 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 1.399 -3.000 0.808 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -3.213 0.683 3.507 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 3.925 -5.882 -2.391 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 4.597 10.614 -2.860 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 0.757 7.441 -10.505 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -14.496 -1.685 0.145 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 3.049 3.985 -2.414 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 12.250 17.941 -17.195 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -35.946 -26.155 -0.667 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -0.248 -7.472 -2.345 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 6.798 -5.592 13.734 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 1.241 -26.484 -8.115 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 1.020 -4.184 -3.430 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -2.567 -3.160 -2.976 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 -13.699 4.894 -21.572 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 -1.408 2.292 3.920 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 28.923 -8.967 -15.546 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 1.734 -3.202 41.543 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 8.752 0.058 2.741 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 -21.307 7.000 -20.179 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 -15.660 -14.029 -22.525 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 0.499 -6.154 2.876 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 -11.446 -24.677 -5.012 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 -4.962 -8.842 -17.698 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 0.776 -9.295 -1.007 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 0.462 -5.535 16.960 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 11.313 5.404 9.016 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 2.085 3.297 -4.216 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 3.680 -2.339 18.516 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -0.689 -11.282 13.876 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 -0.227 1.170 0.513 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -9.066 0.520 -3.039 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 -6.100 2.866 7.304 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 4.637 -0.974 3.005 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 35.566 9.325 0.711 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 16.227 -1.171 0.503 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 0.405 -2.557 0.271 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 9.659 16.858 -6.260 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 -6.767 -9.497 1.525 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 7.013 0.153 -2.731 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 15.266 15.352 -10.572 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -4.122 -5.117 0.386 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -4.750 -0.088 6.788 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -7.923 -8.592 0.683 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 4.782 18.733 20.337 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 -2.803 -1.398 8.302 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 9.860 18.404 0.898 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 24.047 20.195 5.074 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -3.413 0.057 0.034 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -6.199 -1.050 -6.236 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 18.974 4.537 6.748 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 5.684 3.902 -1.789 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -10.574 -2.902 -6.152 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 11.009 3.364 13.191 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -5.676 -6.410 1.848 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -8.399 -6.693 2.417 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -4.506 -6.388 2.583 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 -5.262 -2.956 1.780 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 16.124 -12.628 0.625 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 8.762 -4.920 -25.801 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -3.485 -0.471 -1.532 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 -4.654 2.278 -2.595 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -1.879 0.859 0.784 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 -2.884 -1.481 -0.307 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 11.739 10.655 -2.685 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 3.869 27.556 1.750 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 1.102 9.381 -1.103 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 3.713 8.308 7.922 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 9.932 3.045 -0.198 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 6.284 2.942 2.755 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 15.445 9.096 -12.924 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 5.636 4.690 3.590 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -2.426 2.539 2.459 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 1.152 34.199 9.610 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 1.483 19.966 6.638 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -0.472 -2.405 1.093 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -2.596 10.196 -9.012 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 -6.894 1.804 5.832 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -3.214 -0.897 -1.010 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 11.511 0.890 -5.584 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 -2.669 -13.077 4.977 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -4.283 0.374 -0.469 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 17.390 5.742 6.232 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 8.005 3.343 4.006 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 7.809 0.552 -2.388 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 7.612 9.858 1.848 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 28.034 -17.004 14.996 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 3.498 2.356 1.363 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 -4.827 -34.439 -18.785 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 22.527 19.199 21.231 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 4.944 -0.134 3.030 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 3.829 11.995 -8.106 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -1.378 14.126 -11.167 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -1.284 5.387 -4.335 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -3.100 -7.367 -16.041 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 3.783 14.470 8.528 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 0.231 -2.352 -5.796 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 -7.295 7.894 -10.915 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 9.951 -4.036 -15.059 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 0.288 -5.102 -2.605 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 -24.652 -17.700 -18.369 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 6.222 18.494 -15.328 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 4.371 -0.753 -0.971 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 19.089 3.966 -3.010 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 18.478 1.889 6.987 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 7.361 -4.065 -4.175 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 0.529 -2.959 15.525 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 7.655 -13.885 -11.039 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 8.046 4.479 -7.807 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 -4.450 -16.820 1.880 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -6.557 -16.220 -0.196 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 -4.740 3.610 1.453 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 -2.388 7.388 -29.341 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 20.486 -14.341 -14.629 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 1.248 -2.769 -0.813 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 0.995 15.782 -6.703 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 -4.558 -18.445 -0.127 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 2.216 -0.599 1.855 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 12.035 18.864 -8.466 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 -3.274 10.186 16.701 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 2.124 -4.598 -7.828 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 -4.209 5.840 -8.307 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 12.522 -5.307 -6.197 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -1.868 -2.402 -0.851 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -3.425 -0.542 1.548 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 0.495 -4.508 -1.317 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 7.884 -5.595 1.182 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 19.960 -11.397 14.978 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 -8.413 3.805 2.062 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 1.939 -2.958 -3.099 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 9.175 18.213 -5.297 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -45.960 22.712 -9.844 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -6.209 1.734 0.658 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 0.118 -31.457 -24.204 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 -21.367 17.180 -21.863 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 0.925 -0.349 1.106 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -4.801 -8.529 0.470 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -9.627 15.828 8.567 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 0.337 3.364 -4.161 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 15.739 -6.895 -0.961 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 -25.419 18.647 -14.448 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 5.850 -0.146 0.733 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 -17.597 34.970 13.717 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -9.634 19.360 13.724 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 4.723 0.226 -6.740 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 -0.158 29.814 -17.617 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 14.080 -21.590 -34.993 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 2.005 1.896 5.022 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 12.737 26.944 -11.598 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 12.355 24.337 7.657 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 -8.766 -2.554 3.774 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -10.328 -12.101 2.827 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -16.583 -0.673 10.679 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 1.678 1.459 -0.452 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 12.449 7.941 10.204 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 1.369 12.267 -12.857 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 2.362 1.225 4.402 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 5.330 -5.925 19.384 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 -15.001 -11.975 1.623 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 -2.642 5.010 -0.223 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 -9.907 -12.847 -5.523 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -0.749 7.330 17.187 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 2.999 -2.308 -1.718 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 10.207 -3.688 -3.974 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 2.705 -1.092 -1.646 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 -3.595 -3.349 -0.519 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 9.494 14.897 30.410 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 -21.839 7.417 2.604 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 3.284 5.233 -1.828 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -7.992 7.122 10.144 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 17.917 5.713 6.091 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -2.767 6.413 -2.122 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -3.919 -10.582 -22.946 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -18.282 -4.053 18.381 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -1.478 -7.063 7.624 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 10.405 -1.184 -25.402 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 10.786 0.441 19.348 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 0.560 -2.606 7.473 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -21.078 1.431 -1.572 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 1.062 2.957 12.008 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -2.466 -5.766 -1.443 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 1.879 -14.988 -4.096 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 -4.350 -0.601 -1.721 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 -0.341 -0.925 2.020 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -17.368 22.187 10.567 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 -11.302 20.446 8.724 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 2.781 -2.655 -3.685 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 14.099 26.951 -7.187 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -13.735 0.285 22.543 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 3.485 -5.076 6.430 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 21.762 -10.116 17.732 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 -9.901 -14.695 19.351 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 -5.367 -1.005 4.677 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 9.213 2.968 -8.517 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 -15.650 13.082 -1.042 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 4.447 3.875 -2.155 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 4.568 14.235 -11.012 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -6.129 2.962 11.232 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 -3.208 -2.446 3.845 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 8.654 -4.171 6.478 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 -5.866 -9.343 -0.423 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 -0.475 3.308 0.364 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 1.820 -2.783 1.750 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 0.179 2.673 7.569 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 2.021 6.070 1.819 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 17.923 -2.961 2.850 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 -20.169 18.557 1.037 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 2.432 8.582 -5.048 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 -6.329 -14.876 -3.904 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 4.129 14.875 1.514 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 1.200 5.261 3.139 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 6.744 3.257 -6.155 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 1.072 1.897 6.993 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 1.065 -6.413 3.389 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 15.854 11.655 37.252 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 -7.718 -0.665 4.374 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 -7.819 -1.428 -5.449 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 -8.165 0.764 -16.432 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 -14.129 -10.528 -8.073 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 -1.173 2.452 1.277 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 -2.514 1.626 6.513 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -3.130 -16.898 9.204 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -9.680 6.728 -0.941 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 -3.665 1.092 3.526 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -11.863 -4.517 -8.669 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 1.339 2.526 -2.896 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 6.330 43.954 -4.969 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 -2.348 18.914 13.047 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 3.645 3.873 -0.479 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 7.123 6.374 7.607 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 9.126 6.119 5.428 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 2.854 -1.996 -2.410 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -3.249 -1.642 -34.040 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 11.096 8.253 -13.302 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 3.442 -3.748 0.054 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 -24.825 -12.628 7.230 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 10.747 2.434 30.594 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 0.952 5.485 -1.717 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 7.761 1.865 2.447 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 4.173 12.987 -6.777 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -3.523 -3.502 0.907 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 -7.413 -5.310 -1.705 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -5.985 -0.162 -9.631 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 1.014 0.121 1.368 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 9.078 -13.933 36.136 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -8.787 5.263 -7.836 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 0.105 0.849 -0.811 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 20.326 23.809 25.799 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 12.594 19.283 28.966 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 -2.484 3.999 2.725 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 11.302 2.803 1.024 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -5.508 12.749 9.101 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 1.845 -1.215 3.058 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 0.877 -24.930 -8.799 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 4.663 16.949 4.181 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 3.376 4.982 4.334 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 -13.779 3.278 6.561 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 15.104 20.489 4.258 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 -3.231 -3.516 2.485 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 9.341 0.504 10.824 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 15.602 1.836 -8.040 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 9.291 2.516 -1.494 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 25.119 -10.284 1.981 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 5.864 6.366 -1.842 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 2.033 3.341 -0.926 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 -19.819 9.134 -30.020 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -26.853 24.603 -11.279 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -3.500 3.299 1.999 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 8.259 -17.464 13.318 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -13.343 14.202 -10.900 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 -4.002 1.462 -2.267 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 -20.617 11.232 13.661 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 -8.490 -4.078 -2.816 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 -0.957 2.489 0.420 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 -5.870 13.787 5.795 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 -6.786 -8.896 3.182 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 1.049 3.111 1.332 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -3.883 -0.451 -0.818 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -3.123 5.581 -12.328 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 2.776 -1.508 0.842 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -18.636 16.022 -10.488 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 -18.871 -2.367 18.707 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 -3.316 4.967 -0.029 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 -6.775 -3.305 14.759 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 0.099 -1.168 -1.285 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 2.062 -1.095 -3.306 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 4.932 -2.994 6.281 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 2.513 -0.214 -3.469 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 1.229 0.621 -1.783 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 -3.113 -1.778 -20.085 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 11.815 -20.936 -7.642 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 6.573 -1.935 1.047 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 1.212 -4.092 -7.622 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 11.639 0.132 7.686 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 2.167 1.727 -2.030 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 6.497 -8.903 7.735 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -14.075 2.761 -12.574 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 2.332 5.410 0.286 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 -3.600 -18.836 21.257 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 11.160 3.735 4.270 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 6.231 -1.693 -4.535 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 2.401 -7.284 11.982 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -7.730 24.834 -22.683 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 3.974 -1.707 3.997 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 -19.662 -3.788 -4.725 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 16.514 -4.445 11.157 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -4.689 -2.924 1.962 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 -0.567 3.645 -6.262 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 -2.935 -8.759 8.108 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 -0.374 2.748 4.573 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 6.156 3.739 13.990 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 -6.820 1.321 -3.311 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 0.544 -4.987 -5.004 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -15.713 -1.718 -0.085 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 -18.471 -2.796 1.413 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -4.505 2.156 3.765 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 0.133 -3.021 2.869 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 24.216 11.572 -18.404 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 6.399 -3.261 -5.765 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -15.339 -6.171 -3.252 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 30.557 -25.130 -2.849 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -2.125 2.741 -1.173 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 -9.314 3.557 13.954 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 12.193 15.412 5.851 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 0.506 1.873 1.014 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 1.317 18.071 -19.091 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 7.094 16.090 1.686 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 1.254 1.978 6.021 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 26.801 8.592 -6.354 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -16.431 1.458 11.228 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -2.998 -1.698 3.261 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 -5.536 -2.495 4.513 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 4.090 8.435 6.246 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -3.848 0.431 -3.345 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 -20.589 -10.792 28.585 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 -2.312 -6.047 -2.996 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -1.569 -1.708 -8.724 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -10.209 -12.400 1.282 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -12.947 2.530 -19.162 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 0.059 1.490 4.619 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 13.937 -1.156 8.602 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 10.136 10.614 3.714 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -0.506 -0.801 2.465 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -16.152 8.329 27.689 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -4.779 32.946 16.319 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 -1.540 3.089 -2.202 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 2.836 29.742 0.346 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 2.751 -7.112 -6.100 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 -6.232 2.983 -4.207 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -17.486 10.177 -11.494 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 15.504 0.955 -4.373 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.173 3.058 3.165 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 2.063 3.382 4.868 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -8.189 -0.807 -5.473 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 1.717 5.506 1.657 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 10.342 -10.900 3.673 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 10.400 6.406 14.891 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 13.052 3.112 -1.010 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 -2.305 7.685 4.117 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 1.558 5.938 0.873 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 4.636 3.549 -2.665 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -1.117 -2.236 2.728 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 -8.978 -3.961 -22.330 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -5.061 -5.562 -0.272 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 21.889 -3.631 6.540 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -14.012 -8.269 7.395 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 -0.049 -1.067 1.958 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 0.702 14.722 14.026 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 10.584 -16.172 6.082 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -5.752 -4.015 5.261 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -7.394 -9.926 -0.172 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -13.426 23.694 30.776 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 4.541 -0.671 -4.004 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 12.927 -2.714 -2.980 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 15.535 10.848 -2.370 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 -0.227 8.173 4.228 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -9.320 -5.033 -10.125 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -6.267 4.325 -4.021 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -0.241 1.618 1.086 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -21.156 14.313 -0.462 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 2.471 -3.609 -9.599 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 1.151 3.431 1.886 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 15.857 -2.909 -0.988 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 0.933 -5.515 6.552 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 3.707 4.562 -2.118 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 5.271 -0.473 5.763 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -1.766 6.283 -4.298 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 5.524 -1.036 -0.716 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -12.406 28.147 -4.320 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -3.424 13.101 -6.072 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 2.330 3.292 3.440 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 8.233 -3.863 5.211 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -10.316 -0.313 8.567 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -3.636 -2.629 4.638 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 -5.471 -11.405 -6.353 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -4.681 0.149 15.594 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 1.755 -2.710 -4.349 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 5.530 -16.081 26.211 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -3.163 4.304 -31.268 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 -1.108 -2.928 -0.438 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 22.857 7.858 -3.974 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -7.789 -23.961 27.165 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -0.445 -3.307 -1.301 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 2.047 6.090 -6.808 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 -8.526 2.260 -9.254 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 -7.312 0.595 9.060 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 35.410 6.656 -13.419 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -4.771 -0.022 6.695 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -2.269 -0.131 -9.829 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -14.085 9.900 -1.919 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 6.644 -7.431 2.000 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 -0.746 -3.551 1.336 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 -16.799 -2.483 -1.557 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 -2.453 -27.938 5.442 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 2.620 3.790 0.749 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 -9.565 10.853 15.979 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 0.516 4.601 -4.255 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 0.821 5.950 -6.265 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -2.933 8.471 4.456 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 -10.179 8.881 -19.021 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 -4.855 -7.433 5.083 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 20.846 -16.469 20.454 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 25.046 0.132 9.368 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -2.162 3.682 -3.027 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 -5.939 -20.636 -8.909 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 15.976 -0.680 2.377 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 1.767 2.262 1.782 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 7.237 -14.605 5.236 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -0.585 6.823 -6.660 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -6.383 -2.427 0.864 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 4.864 1.156 -5.306 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -13.178 -11.712 16.508 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 2.951 4.002 -1.807 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 3.220 4.157 -3.610 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -21.627 -6.231 -31.943 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 -4.725 9.102 1.219 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 -3.427 3.496 -26.450 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 9.076 -11.495 11.680 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 1.851 2.284 0.107 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 17.038 0.057 12.089 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 3.610 -12.503 2.477 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 5.134 7.141 -2.841 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 2.331 11.434 -6.000 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 4.455 3.251 -2.657 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 5.838 1.661 -2.287 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 3.959 -7.556 20.495 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -9.196 10.555 13.492 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -1.735 -2.231 0.817 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 12.466 4.788 17.220 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 9.101 7.170 10.236 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 6.293 5.788 -2.023 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 -7.552 6.178 27.892 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 14.662 -18.871 -3.654 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 2.492 2.859 1.418 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 17.215 13.565 19.649 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -7.360 -8.044 -9.338 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -1.829 1.305 1.071 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 -10.638 1.783 7.664 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 7.069 7.268 4.731 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 -9.382 -0.995 -3.538 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -26.668 -7.416 -5.264 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 3.136 19.109 13.530 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 4.829 -2.223 3.396 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 1.676 16.697 1.288 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 -0.396 -0.572 -1.349 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -2.699 0.197 0.074 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -7.343 -8.834 -13.847 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 2.359 -9.262 10.204 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 0.238 0.003 -7.190 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 -2.335 -27.925 -0.712 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 4.187 13.207 -8.573 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 0.683 -3.390 -1.140 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -10.231 -16.862 -6.728 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 7.187 -34.156 8.897 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -2.888 -4.264 0.471 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 8.916 2.109 -8.488 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -9.845 -6.830 -14.466 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 -3.452 0.183 1.489 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 -0.838 1.438 -0.262 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 -4.576 3.196 8.851 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 -1.801 -1.062 7.361 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 13.135 1.932 7.010 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 -0.113 -17.789 14.777 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 2.513 3.233 1.947 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 1.073 16.989 7.651 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 11.257 -11.072 -8.176 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 -3.527 5.391 -4.981 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 3.812 3.661 -3.962 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 4.707 0.053 -17.388 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -1.697 2.238 -1.318 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 -2.850 -6.165 -4.707 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -12.169 7.874 -5.149 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -5.177 0.502 -1.591 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 8.585 -3.604 4.803 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 3.077 -1.911 0.678 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 1.212 0.888 -0.803 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 -13.022 -7.524 15.066 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -36.034 10.251 -5.708 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 -3.786 -1.805 4.412 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -0.713 -5.967 3.153 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 -18.889 13.286 -11.579 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -2.216 -0.073 0.674 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 10.391 0.538 -11.300 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 8.756 -0.911 16.706 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 1.327 -5.684 -6.044 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 3.403 -3.333 -12.741 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 22.056 -9.460 -3.500 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 1.707 -2.253 0.882 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 0.972 -0.919 1.457 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 4.022 -11.999 -2.207 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 -0.907 1.279 -7.481 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 3.561 3.214 -15.789 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 4.928 8.971 1.110 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 2.138 -4.027 -2.923 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 -8.291 3.654 7.539 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 4.215 6.578 3.365 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 0.324 4.598 -3.246 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 4.244 -15.172 -2.659 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 -5.622 28.891 1.157 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 1.428 -10.182 1.819 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 27.435 -2.022 -5.995 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 13.450 -1.966 -12.046 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 -4.094 4.777 -4.919 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 14.112 26.643 3.636 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 4.064 11.675 -10.168 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 -3.128 3.197 8.373 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 -18.216 13.995 -0.450 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 17.066 -10.158 -5.973 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 -1.904 3.398 10.613 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 3.242 1.883 28.525 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 -10.855 3.834 7.466 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 0.764 0.927 2.403 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 9.383 -5.732 -6.108 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 5.755 5.856 7.793 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -3.391 0.649 -0.086 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 12.347 -7.445 -14.313 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -23.947 6.343 -3.024 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 1.579 -4.951 0.153 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 6.428 -6.723 9.812 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 9.526 -2.350 -1.828 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 1.436 0.364 1.445 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 -0.147 3.228 1.171 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -6.541 15.344 5.917 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 0.879 -6.537 -2.888 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -15.394 10.507 6.793 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 22.241 -1.073 39.005 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 1.043 -0.996 -2.159 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 -9.074 19.327 28.560 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 4.171 -18.333 -20.146 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 -0.932 0.790 -0.345 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 -0.651 -2.191 -5.783 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 3.695 15.163 20.143 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 8.750 -0.244 0.254 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 3.422 -0.482 -2.505 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 14.761 -11.834 -6.732 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -4.597 -0.967 -0.659 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 7.743 2.626 13.918 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -0.461 7.814 16.015 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 8.132 3.761 1.947 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 9.805 3.156 1.006 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 15.625 0.100 2.254 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -0.576 -0.215 -8.247 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 -6.990 10.046 -24.032 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 3.556 -4.441 3.848 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 1.642 -2.497 0.560 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 11.857 -15.530 -11.952 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 -9.870 -15.919 4.658 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 5.625 -3.034 -4.065 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -3.176 1.613 -17.389 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 8.452 -1.232 -2.934 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -1.569 -1.118 5.505 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 2.106 -22.895 0.670 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 6.560 1.648 25.508 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 -2.687 -3.870 3.787 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -5.242 7.593 -17.704 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 0.322 -3.339 -19.435 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 -5.944 -0.790 -1.222 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -11.175 -0.895 4.082 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 3.009 1.462 -4.645 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 2.639 -2.302 3.109 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -6.307 0.031 -3.459 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 10.870 6.027 -0.125 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 -5.130 -2.267 -1.451 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -7.535 -7.832 -19.405 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 -16.722 -22.668 6.505 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 8.550 1.193 -2.186 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 2.213 -6.493 -20.399 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 7.467 19.416 -3.951 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 1.021 -1.761 -1.486 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 2.327 2.524 6.944 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 13.665 9.000 0.708 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 -4.780 -8.322 -5.327 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 6.085 0.761 -3.738 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 0.229 -12.070 -10.706 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 -12.650 -1.369 -2.138 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 -0.045 6.910 1.523 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 -14.764 6.695 -24.490 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 -0.489 4.574 -7.256 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 3.061 1.099 -9.509 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 1.608 6.633 -1.333 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -3.165 -6.626 7.143 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 5.052 -6.547 9.357 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -5.361 1.522 9.855 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 1.480 -10.660 0.917 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 7.303 -11.553 -10.749 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 13.026 -17.972 -0.003 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 4.838 -1.705 4.195 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 4.005 -12.887 2.599 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 21.774 -12.735 -7.382 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 2.001 -1.494 0.531 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -1.180 3.495 -13.398 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 1.941 -1.888 3.734 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 3.286 0.135 0.878 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 6.866 10.108 3.334 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -14.346 -14.435 -5.134 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 -4.195 0.491 0.582 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 5.361 -14.902 -0.929 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 -15.156 15.486 -2.453 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 -1.570 3.359 -0.168 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -5.204 -0.482 -20.197 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -1.313 2.972 -3.651 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 3.645 3.780 -3.144 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -17.168 12.350 -1.743 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 18.159 2.172 1.189 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -0.724 -7.022 -0.283 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 4.226 -11.283 10.238 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 -1.197 4.374 -5.617 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 -0.068 -2.674 0.392 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 17.464 -1.251 8.191 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 -0.612 12.015 -12.278 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 8.306 -1.272 1.442 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 2.526 -6.902 8.897 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 9.583 -6.585 -3.679 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 5.382 0.520 -5.567 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 21.929 -3.336 -21.446 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 4.927 7.909 -8.983 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 1.704 3.429 2.393 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 -18.005 17.158 16.073 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -17.037 16.466 17.927 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -2.673 -4.499 -4.226 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 -5.201 0.173 -0.304 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 -0.167 -1.217 6.534 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 -2.315 -3.401 3.023 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -17.289 15.461 -2.404 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -12.407 23.461 -2.545 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 3.923 5.061 1.097 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 6.559 4.642 2.905 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 0.623 1.611 12.580 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 -0.866 -0.938 -2.678 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 6.482 -12.221 -14.425 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 -3.765 -16.976 -0.931 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 3.468 3.988 4.724 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 22.508 6.473 9.845 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 1.897 16.755 5.588 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 3.008 3.336 1.680 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 2.892 8.490 17.151 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 3.136 0.304 -7.742 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 1.051 0.974 -4.333 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 -1.515 -3.063 8.936 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 3.079 16.568 -12.614 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 7.442 1.730 5.908 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 5.266 -19.618 4.186 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 7.878 -8.069 2.060 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -4.669 -1.183 0.148 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 -3.632 -0.712 12.345 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 -5.062 0.931 -27.173 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 0.765 -4.652 -3.203 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 12.896 -4.788 -5.528 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -0.284 5.851 -0.628 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 5.913 1.314 2.359 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 22.388 -1.054 6.193 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -2.013 -14.733 10.478 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -1.041 -1.499 -5.197 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 0.863 -6.352 4.381 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 -11.626 2.386 -12.397 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 -4.855 -0.761 -1.509 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 6.357 23.505 -9.633 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 0.971 -9.729 -12.624 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 -2.863 3.032 -8.990 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -0.664 30.931 -14.058 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 0.278 -6.162 0.941 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 -5.840 2.022 1.380 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 -4.458 12.980 8.969 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -4.286 7.286 -18.243 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 2.360 -0.757 9.708 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 3.064 1.155 24.473 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 9.353 16.675 -18.356 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 3.440 -0.553 8.288 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 3.056 1.406 -6.216 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 21.412 24.751 8.936 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 3.111 -6.062 1.815 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 -0.680 -8.757 -7.725 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 -1.938 0.664 5.868 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 4.054 -4.283 -1.651 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 8.911 -14.653 -12.159 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 -1.724 -3.565 14.185 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 1.952 -1.834 -0.216 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 0.946 7.371 -0.125 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -6.935 -16.391 10.560 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 -4.415 3.116 -0.520 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 -9.002 16.041 -10.057 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -5.338 6.281 -2.039 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 2.425 -10.524 -4.220 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -15.945 -11.253 -4.512 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 11.695 1.219 19.057 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -3.424 -10.890 0.015 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 8.651 18.105 -22.799 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 -0.079 -33.565 25.159 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 0.476 3.078 0.810 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 10.081 0.996 16.316 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 12.216 -2.839 0.004 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 0.089 -3.982 -2.619 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 3.428 -2.988 3.055 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 2.783 -14.314 3.338 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 3.982 0.246 11.192 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 10.259 -4.949 17.746 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -9.507 14.904 -3.585 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 5.091 1.744 -2.666 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 8.099 10.958 -2.722 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 5.336 -5.472 -10.408 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 -4.561 4.767 1.995 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 -25.588 -12.397 -2.654 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 15.262 -13.595 -12.192 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 2.108 0.284 -6.379 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 9.417 2.900 -7.577 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -2.547 0.996 -12.018 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 1.771 -3.841 -0.142 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -2.271 10.500 2.295 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 2.113 2.196 13.158 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 2.694 -0.216 -1.720 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 -10.296 7.106 24.509 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -17.735 -1.170 -12.341 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 -2.844 3.605 0.777 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 25.009 20.432 2.895 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -4.495 -2.086 -4.881 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 5.647 -2.093 -1.118 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 6.564 -1.222 -3.142 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 10.241 -3.911 6.521 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 6.110 -3.803 -0.262 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 2.066 -2.707 -1.991 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 6.498 -7.739 6.792 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -6.689 0.835 -6.179 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 -0.581 5.041 12.618 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -2.339 -13.720 -5.401 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -0.224 -1.866 -1.306 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 -1.402 -3.789 -6.098 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -1.591 0.133 0.129 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 3.423 -2.808 -5.218 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 -13.178 12.127 3.429 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -28.991 18.041 22.717 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 5.080 3.425 1.730 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 13.322 2.070 -6.486 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 3.333 3.610 2.163 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -2.130 -1.526 -0.512 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 -8.149 4.400 -3.663 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 5.019 -6.663 -5.284 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 5.189 5.884 8.203 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -0.138 3.871 -3.066 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 13.172 1.251 -8.762 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 -1.135 -0.460 -0.571 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 -6.162 -7.876 -14.124 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 5.557 14.854 -7.280 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 -2.324 -5.511 -3.254 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 12.259 5.200 -17.663 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 4.118 5.084 15.592 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 1.048 2.620 -8.784 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 -7.500 -28.402 13.237 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -14.997 15.928 -22.576 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -6.232 -5.076 4.063 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 2.388 7.098 5.352 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -17.584 -3.687 1.424 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 -3.434 -1.033 1.712 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 11.785 -19.954 -12.510 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -10.508 5.467 5.550 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 0.910 -1.734 -5.178 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 -14.429 7.326 -9.142 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 18.058 12.106 -7.069 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 3.856 9.190 -1.176 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 -1.905 20.977 8.249 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 -5.028 31.828 -4.460 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -5.352 0.021 2.098 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 -12.891 -16.646 -8.232 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -2.960 2.886 7.746 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 3.197 6.001 2.545 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 28.548 11.985 20.910 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 3.205 6.003 4.166 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -1.386 6.312 -1.645 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -4.855 9.867 3.387 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 -10.755 4.147 6.427 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 2.901 -3.468 -0.248 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 3.215 -0.463 14.538 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -11.077 4.672 -3.881 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 -1.755 -5.063 -5.697 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 7.946 -2.181 -15.025 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 2.020 -5.403 -7.152 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 1.906 -6.567 -8.844 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 15.410 -12.638 13.019 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -14.012 -0.246 -29.274 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 -9.199 -3.452 3.214 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 -8.732 -20.383 17.978 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 -9.387 -6.926 -1.454 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 1.682 2.768 4.315 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 11.021 -26.688 9.788 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 2.327 -11.144 10.963 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 4.737 -3.945 2.801 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 -10.516 -15.270 0.080 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 9.234 4.256 19.916 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 -2.900 -1.147 3.225 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 -10.222 -7.180 8.658 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 5.901 -9.185 4.044 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 -3.834 0.250 3.113 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -20.882 0.447 0.601 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 8.930 4.188 2.740 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 -5.698 -1.681 2.652 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 2.393 -1.978 -10.076 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -6.765 10.515 -3.563 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 0.992 -0.071 -6.909 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 -0.721 24.448 1.172 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 16.227 -7.802 4.138 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 0.452 -0.591 -0.180 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 -7.383 -19.438 0.480 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 2.332 8.295 20.427 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 3.378 -0.794 3.625 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 -5.397 5.266 6.797 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 0.013 4.640 21.980 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 -4.819 -2.695 0.395 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 13.841 4.209 9.955 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 -7.299 9.335 -13.404 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 0.322 0.662 -2.946 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -10.125 -5.269 -21.303 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -7.349 -15.815 13.353 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 3.296 3.122 -0.185 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -22.806 3.824 10.952 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 7.398 9.897 -3.877 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 0.404 2.369 2.263 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -19.422 -8.115 18.654 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 -7.183 31.595 19.928 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -0.722 -0.803 1.571 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -5.420 -8.310 -29.484 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -1.621 7.083 4.701 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 1.769 1.399 0.951 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 -24.040 15.046 -2.457 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 13.140 12.388 11.777 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -6.193 -0.878 -0.844 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 -8.042 -19.490 -3.538 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -4.446 4.566 -1.082 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 0.032 5.783 2.222 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 40.665 14.865 22.785 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 1.295 7.501 6.686 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 0.438 -3.888 5.393 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -38.505 -12.194 -6.655 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 8.901 -0.114 5.979 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -0.663 1.981 -5.271 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 7.089 -11.691 -17.082 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 4.746 -18.614 -16.219 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 2.505 4.642 9.435 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 1.718 -9.088 11.029 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 22.085 -20.906 24.637 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 -6.414 2.999 6.216 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 6.174 7.761 11.901 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 -29.535 4.121 -19.775 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 2.951 -7.370 3.301 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 3.277 2.871 -7.032 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 12.210 -10.138 5.956 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -2.975 8.198 0.716 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 -1.655 29.401 10.603 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 -0.581 -7.967 5.041 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 3.400 3.840 -5.306 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -10.321 -21.129 18.407 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 19.652 -2.691 14.432 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 -3.698 1.526 0.666 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 -3.328 -3.353 9.069 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 -8.739 3.950 8.766 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 1.958 4.415 -0.645 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 -5.594 3.369 3.216 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 -23.173 26.603 -4.594 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -1.343 -4.883 -3.295 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 10.746 26.416 7.221 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 20.760 -14.539 -13.019 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 -1.428 -2.867 -3.681 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 0.672 -10.682 25.080 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 -9.024 -1.489 -10.987 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 4.070 -3.228 3.032 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 12.550 5.676 18.301 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -1.279 -3.957 4.847 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 -10.210 -3.036 2.996 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -29.601 3.303 4.098 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 0.711 14.744 5.799 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 -4.654 -10.137 -4.239 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 -19.368 -11.697 1.657 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 -4.136 -9.834 -14.310 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 3.200 -0.240 -3.572 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -0.194 7.575 10.041 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 8.843 3.536 -14.082 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 3.506 -0.044 5.453 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 2.160 5.141 -21.567 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 6.928 -28.837 6.853 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -3.383 6.432 2.690 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 2.892 -6.707 -2.461 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 7.996 7.211 6.339 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -0.731 3.775 4.431 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 18.740 5.258 9.191 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -24.439 -6.995 2.276 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 -1.363 -1.294 1.246 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 1.679 0.820 -0.065 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 5.002 1.652 -11.082 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 4.567 -3.010 4.254 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 34.771 -2.214 -21.780 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 3.629 0.414 5.155 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 -6.147 4.340 12.194 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 -2.011 13.030 14.827 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 -20.271 -39.461 -20.343 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 5.722 0.253 -2.122 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 13.855 17.608 -16.722 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 0.156 -23.111 6.833 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 -4.296 -4.467 0.007 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 -5.452 -4.969 -2.387 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -3.763 -7.351 2.958 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 0.125 4.373 -3.481 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -20.435 13.675 39.382 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 4.169 -1.853 -6.479 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 8.482 -1.132 -1.239 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 -16.007 -16.913 -8.086 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 33.928 30.689 18.732 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -4.302 4.025 1.939 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 9.354 -7.193 19.760 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 -14.979 13.356 11.338 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 -6.451 -3.886 -1.310 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 -12.029 6.725 -15.080 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 -6.430 12.894 5.606 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 1.129 2.548 -1.914 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 -13.071 10.190 8.429 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 3.800 -1.739 -18.715 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -0.822 -1.343 -1.864 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 -0.428 22.262 1.378 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 5.082 -13.631 -12.498 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 1.768 1.191 0.161 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 -6.707 -10.183 6.207 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -11.928 -0.360 14.700 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 -3.916 13.360 -2.975 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -4.974 22.403 8.681 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 -9.238 -2.427 -36.663 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 6.442 3.100 -3.959 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 20.692 -1.212 8.190 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 -6.073 1.568 31.222 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -2.188 1.269 0.497 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -0.141 -7.282 3.800 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 7.484 2.880 -9.862 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 -0.682 -2.216 -1.431 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 6.941 8.620 8.669 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 -2.570 -5.271 -7.544 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 7.851 -0.158 2.914 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 1.347 2.313 -0.044 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 5.611 9.880 3.453 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 2.153 4.198 3.728 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -4.618 8.201 -10.210 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 16.596 0.538 5.340 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 0.631 0.481 -7.142 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 3.867 4.494 -4.548 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -2.442 -2.295 -6.546 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 -6.344 6.643 -2.337 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 4.247 7.873 -5.511 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 4.910 -2.220 15.462 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -4.164 0.863 0.726 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 -14.516 2.396 -4.561 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 1.410 -9.605 -5.576 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 3.860 2.411 5.797 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 6.420 -7.415 -12.344 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 11.174 -21.262 13.722 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 -3.801 -0.347 0.811 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 8.347 9.297 -10.098 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -6.802 -14.638 10.969 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 1.271 3.035 2.227 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 -8.636 -1.843 -1.166 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 10.204 -24.678 19.147 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -3.882 4.468 -7.943 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 -9.103 -19.899 -6.157 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 -1.624 1.227 -9.423 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -3.483 -8.946 1.328 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 9.731 -3.157 -8.267 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 1.632 8.698 2.427 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 1.539 -2.076 -4.689 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -6.104 3.114 -18.211 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -1.047 11.202 -17.797 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 6.461 -0.876 1.056 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 6.027 0.994 0.345 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -5.062 -8.962 -10.946 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 -0.810 -5.008 1.560 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 6.884 -12.412 -28.540 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 9.267 11.880 0.727 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 -5.073 -0.765 4.966 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 -15.635 -5.445 -7.574 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 11.718 1.427 14.876 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 -0.510 -1.170 -3.513 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 -8.344 2.797 -15.827 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 11.264 5.093 -3.607 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -0.409 -0.580 -3.628 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 1.767 -0.011 -1.794 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -13.523 -9.252 -7.900 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 -3.726 2.806 3.778 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 10.813 -2.391 6.747 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -9.078 -3.776 -6.609 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -2.525 -0.544 2.265 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -9.104 11.005 17.818 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -15.434 -12.135 -8.337 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 5.252 -6.540 -2.740 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 1.631 16.310 -10.440 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 7.564 -9.230 -0.890 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 3.888 3.577 -9.393 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 8.165 19.617 6.151 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -7.944 0.319 -18.531 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 7.168 1.655 0.020 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 11.094 9.748 -9.380 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -2.160 -13.263 5.516 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 2.961 -0.413 -1.716 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -11.032 2.440 -5.610 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 -1.345 -15.295 9.086 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 4.943 -4.216 2.956 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 0.497 4.893 26.171 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 8.099 -13.707 -13.848 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 0.423 6.277 -1.225 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 3.078 0.161 -10.635 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 -2.862 -10.755 -13.607 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 2.827 -1.530 -5.776 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 15.386 -3.738 -6.225 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 15.410 -1.818 -12.584 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -0.126 1.620 -3.548 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 -1.216 -2.848 -4.636 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 2.141 16.931 -0.639 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 -2.589 0.477 -0.084 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 -11.460 9.710 20.088 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 -12.720 -6.290 20.966 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 -5.948 -2.722 2.230 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 5.043 -22.051 8.883 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 -8.159 -0.323 1.154 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -1.602 0.977 -0.496 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 -14.625 1.697 -6.940 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 1.547 12.349 -6.811 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 6.855 8.986 -2.476 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 7.511 24.273 7.018 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 13.559 8.011 -4.935 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 -1.788 -1.917 0.027 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 -2.253 -5.149 12.997 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 -0.974 -12.206 -2.831 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 2.918 1.809 0.380 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 31.878 21.942 8.945 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 -18.670 -19.710 23.485 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -7.591 -5.729 4.429 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 -23.181 -27.597 37.249 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -1.716 2.346 -18.680 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 9.732 1.018 -6.099 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 3.272 36.303 22.257 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 31.488 -22.250 -4.858 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 3.452 0.247 -3.154 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 -5.894 -7.652 -6.460 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 15.454 14.666 3.652 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 -0.921 -2.597 1.116 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 15.834 -3.624 3.369 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 6.612 -0.633 3.881 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -3.213 1.709 -3.421 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 -7.795 3.374 18.332 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 12.603 -19.010 3.426 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 -7.435 -2.009 1.488 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 -29.229 -14.028 0.270 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 10.493 6.019 7.037 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -5.667 3.516 1.105 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 3.508 -4.151 2.246 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 3.454 -3.293 -17.645 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 2.976 -4.404 0.229 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 -22.332 -20.260 6.927 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 1.195 -3.316 3.795 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 -2.523 -5.440 -0.677 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 12.089 -11.820 2.345 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -16.888 6.563 -6.382 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 -3.028 3.084 5.650 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 0.764 -13.319 -0.119 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 13.052 1.067 6.160 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 -5.142 1.090 0.395 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 19.885 -4.822 13.595 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 9.274 -23.860 9.759 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -7.143 3.025 4.822 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -6.068 2.752 2.316 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 -11.803 28.634 -14.002 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 -5.055 -0.797 -0.886 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 3.497 13.736 -18.656 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 1.453 5.162 20.354 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -5.006 0.496 4.173 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 24.607 23.946 -0.806 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -24.352 2.705 22.770 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -3.056 8.295 -10.999 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -12.522 9.771 -15.817 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 -29.087 5.858 -0.261 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 5.991 -2.953 9.042 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 20.697 -7.688 -2.520 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -3.642 -1.883 6.700 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 1.606 1.337 0.047 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -8.611 31.395 13.614 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 37.391 -0.891 6.032 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 -1.539 -5.796 -0.979 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -5.219 -3.116 -0.587 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 20.074 -24.561 -4.071 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 -3.992 0.444 6.279 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 -8.679 1.122 18.882 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 3.512 -1.454 1.938 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 0.175 -3.574 5.248 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 9.326 -4.281 -6.502 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 7.252 -5.833 -1.369 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -5.140 2.717 -1.335 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -8.103 -7.664 8.185 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 8.771 -0.332 -3.797 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 0.665 0.885 -3.008 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 6.231 9.188 -9.805 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 11.805 15.346 9.334 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 4.950 -2.734 1.467 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -7.643 -1.965 -3.482 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -4.427 3.088 -9.432 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 0.686 -1.157 6.593 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 6.610 -1.728 20.013 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 4.008 0.114 -5.774 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 -0.612 0.161 0.421 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 7.524 20.108 -20.839 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 1.990 24.269 -5.805 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 3.420 2.248 -0.511 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 26.622 -9.915 -2.347 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 0.640 -2.193 2.216 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 8.279 -3.123 1.885 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 -15.544 -8.164 -2.829 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 -14.330 -3.110 -25.450 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 -0.509 1.966 3.198 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 -1.628 0.715 15.490 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 12.720 1.741 0.366 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 5.979 3.774 -4.985 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 13.379 3.062 5.016 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 8.296 12.850 -20.046 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 3.310 3.324 1.943 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 3.312 18.166 -7.056 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 -11.599 7.860 3.165 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 2.345 6.115 0.708 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 -3.452 15.530 22.733 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 1.864 4.628 5.155 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 5.401 3.783 -2.147 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 11.927 15.430 -4.701 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 -22.984 -24.835 15.350 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 -9.445 -7.763 3.290 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -8.601 -14.490 -4.718 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 -11.439 -3.244 -0.600 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -0.685 -3.811 1.088 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 27.242 7.080 -23.651 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -3.712 0.681 12.779 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 2.400 6.287 6.869 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -0.416 -2.371 18.585 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 3.561 -13.860 2.350 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 -0.358 4.036 1.750 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 20.908 10.907 -13.433 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 17.550 9.800 -9.334 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 4.351 -3.862 -1.613 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -0.808 0.823 -16.452 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 -7.981 0.998 17.681 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 -4.043 -1.779 0.995 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 1.417 -1.060 1.282 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 8.475 16.485 -30.800 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 2.711 -2.288 -2.269 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -14.714 10.284 11.462 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 -18.300 -7.965 -8.845 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 -4.089 -1.284 4.477 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 -0.374 -22.419 -1.004 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 -4.579 2.028 4.797 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 4.414 -3.159 -5.122 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -1.765 -6.204 8.459 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 -5.666 19.699 -9.434 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 -0.600 2.188 0.914 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 6.014 -7.241 7.850 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -17.202 -0.132 5.632 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 1.863 2.035 8.711 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 11.071 21.416 -9.896 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 13.683 5.985 15.040 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 2.748 -3.213 3.111 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 -3.855 -16.477 3.292 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 -5.391 7.726 11.131 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 3.250 -0.034 -3.958 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -12.394 -15.130 -0.016 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 22.942 6.843 10.833 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 -1.834 -1.757 -1.454 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 -5.377 -11.850 -6.002 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 5.492 18.302 10.296 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 3.827 1.576 2.285 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -30.056 2.234 11.686 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 -13.869 3.131 5.870 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 -2.072 -2.912 2.166 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 -7.468 -5.861 -8.246 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 -14.181 -15.985 -27.295 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 3.831 -7.798 -2.718 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 10.039 -18.660 7.537 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -6.815 -1.179 0.152 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 4.991 -2.476 -4.851 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 -13.862 -5.592 6.413 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 20.116 18.950 3.454 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 -14.044 4.444 3.693 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -7.032 10.094 -1.387 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 -6.958 5.935 7.937 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 -4.037 -2.555 5.180 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 0.466 4.287 5.956 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 -5.905 14.244 -12.113 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 -0.346 6.303 0.162 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -2.555 11.436 4.060 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -2.391 5.570 1.649 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 1.165 -1.782 -4.314 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -11.656 0.841 11.688 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -2.097 24.934 3.063 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 -4.770 3.479 2.234 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -4.318 5.036 12.188 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -6.142 4.703 1.734 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 4.014 0.197 6.968 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 -34.058 22.792 5.242 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 -15.576 -11.072 -28.188 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 4.697 -0.628 3.074 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 6.475 -15.185 0.459 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 -13.733 3.342 9.085 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 5.578 -3.585 5.359 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 3.994 -0.908 0.054 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -7.008 5.310 -10.777 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -6.887 2.562 5.729 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 0.955 1.436 14.757 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 -4.266 1.358 8.179 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 -0.431 3.640 -3.046 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 3.255 18.965 -4.923 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 -11.411 -1.183 5.158 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -1.468 -6.110 -2.387 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 10.067 2.590 18.169 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 22.675 -0.492 -0.764 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 -1.102 3.723 -1.577 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 10.850 15.484 6.897 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 0.244 -12.835 -1.195 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 -5.124 -1.772 -5.933 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -1.165 -1.532 -3.996 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -5.189 2.535 -8.970 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -4.100 0.185 -0.433 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 -20.286 -5.890 3.070 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -7.135 13.763 -11.279 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 1.303 -6.219 0.722 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 -20.078 -5.589 12.210 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 18.036 16.895 -0.249 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 1.331 -6.886 -1.897 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 -5.402 -26.770 -0.395 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -22.121 0.065 8.949 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 -0.050 -0.939 0.770 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -8.614 11.118 -4.468 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -3.523 -14.534 -8.661 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 3.131 2.518 -3.702 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 -3.207 1.733 -6.663 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -9.736 15.935 -1.779 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 2.530 3.476 -0.853 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 1.744 2.829 -1.287 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 -8.952 -20.990 -9.205 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 0.358 4.073 6.469 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -0.561 -7.537 -2.234 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -0.966 -11.131 -5.490 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -1.853 2.019 -1.278 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 -10.441 -11.742 -6.570 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -10.278 -3.267 3.511 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 -2.373 -2.246 -2.974 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -1.316 -6.161 -10.248 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 -27.749 -18.291 -27.080 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 -0.504 1.654 -0.995 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -6.799 15.078 21.210 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 25.857 -10.045 31.152 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 -4.339 -1.388 2.374 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -17.119 8.126 -5.676 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -1.114 -6.678 -0.536 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 -1.774 -2.305 -1.929 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 -10.761 4.433 -14.972 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 7.595 18.782 -15.472 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 0.448 -2.719 -1.216 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 1.667 1.063 -3.889 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 1.026 -0.110 -3.395 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 -4.143 5.834 4.483 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 2.089 4.700 0.470 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 17.319 9.414 -11.495 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 5.378 1.595 0.057 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 11.761 -12.986 -21.630 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 22.755 -20.366 -30.980 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 -0.257 -1.694 -1.663 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 -0.119 -8.123 15.229 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -1.730 -2.280 0.785 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 3.735 6.939 1.553 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 -9.052 13.230 11.821 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 2.516 13.328 2.974 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -1.002 -1.389 -0.293 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 8.144 -2.812 6.402 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -6.448 -0.651 -6.455 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 1.450 -1.660 5.581 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 -2.555 2.552 4.565 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -7.176 8.940 11.307 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 4.413 -0.164 0.219 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 -8.693 6.627 21.125 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 3.846 5.157 -10.175 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 6.356 3.357 1.850 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 10.705 -1.196 -10.952 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 16.637 7.768 4.058 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 3.858 1.508 0.242 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 9.263 0.042 4.724 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -2.627 -6.333 -6.937 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -1.553 1.620 0.310 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 -8.691 7.958 -19.581 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 8.742 -8.168 22.704 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 7.455 -3.334 -4.539 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -20.063 10.873 0.612 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 5.256 -4.659 -6.497 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 -5.241 1.144 -4.927 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 -37.103 -8.580 -13.798 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 15.805 -6.932 -31.622 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -0.318 -0.144 2.442 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 17.616 13.873 14.688 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -12.260 6.907 -7.120 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 4.114 8.387 -6.859 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 4.671 -0.111 -9.404 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 10.251 14.259 -11.406 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 0.697 0.455 0.226 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -13.529 0.894 -7.501 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 8.722 -1.931 2.631 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 -2.008 -0.821 -9.004 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 -6.044 -8.029 -10.292 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 -2.183 17.387 -2.723 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 -5.140 -4.719 -1.859 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -3.193 -5.650 1.785 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 8.306 19.786 16.982 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 2.599 -1.188 -1.161 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -3.136 -4.176 -5.772 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -3.306 -3.181 2.879 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -2.620 -3.900 -3.967 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 3.247 -4.235 -4.883 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 1.177 2.888 8.653 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 4.102 -0.605 -2.057 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -22.119 4.081 -8.284 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 8.588 10.623 -13.835 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 0.242 -4.740 -0.381 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 21.838 -5.415 1.717 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 5.688 -9.462 -4.932 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 -2.645 0.606 -6.755 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 -1.034 -14.372 -3.032 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -2.179 21.690 -12.155 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 1.903 2.325 -3.953 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 -33.592 -6.335 17.200 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 10.228 -9.136 5.707 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -3.127 -4.203 3.783 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 -25.670 8.136 15.737 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 17.891 -38.122 -0.777 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 2.039 -2.539 7.446 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 -0.370 0.785 1.716 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 -0.603 -5.422 12.607 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 -4.744 -4.619 0.870 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 -2.034 -14.179 8.088 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 -20.960 5.952 11.434 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 -2.731 -6.998 -1.011 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 5.697 -14.354 4.669 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 -6.612 1.886 -1.147 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 0.339 -2.851 3.323 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -6.660 -11.297 -12.776 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -5.348 5.064 -1.923 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -2.745 -7.933 -8.138 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 8.059 -3.205 -6.779 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -9.475 -14.711 -6.736 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 4.823 -0.336 4.749 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -10.150 1.473 -14.749 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 14.412 -22.747 -12.527 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 -0.814 3.907 1.138 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 16.633 19.368 -14.732 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 1.361 -0.792 -34.110 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 3.389 8.137 -3.236 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -7.928 -5.373 16.050 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 -4.065 -4.491 -20.267 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 -0.133 2.144 -2.450 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 7.130 -6.407 7.223 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -10.641 -4.096 -11.726 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 -1.465 0.779 -2.605 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -5.161 -19.027 16.624 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 -0.321 -14.489 3.929 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -2.986 -2.121 0.248 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -3.617 0.802 8.717 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -0.571 3.402 -2.368 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 4.961 3.687 -2.427 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 27.445 10.899 -0.714 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 -1.201 4.160 -25.490 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -0.162 1.024 0.550 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 7.749 27.296 6.093 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -0.543 2.725 1.841 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -1.755 -0.778 -4.853 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 -1.445 -20.630 17.264 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 -0.256 -10.727 -0.129 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -1.877 0.980 0.848 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 7.638 -25.156 -8.169 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -8.549 3.134 -10.221 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 -1.126 -0.040 -1.641 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -7.493 -6.378 -8.740 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 -7.398 1.933 7.693 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -1.812 5.319 2.844 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 7.833 -0.203 16.053 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -7.157 6.954 -1.653 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -2.455 1.376 -2.347 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 -8.423 5.031 2.476 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 -19.361 11.067 13.407 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 6.587 2.312 5.159 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 -7.662 25.310 -5.077 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 11.916 -9.976 4.210 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 -0.463 7.746 1.488 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 -0.461 5.140 -1.063 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -30.378 2.846 -6.871 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -3.183 -6.391 -6.520 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 -23.899 7.559 11.330 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 3.401 -22.381 7.161 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 1.117 3.914 -4.536 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -14.072 17.318 -0.596 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -4.327 -0.044 9.042 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -0.298 2.333 -2.378 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 2.243 -5.903 16.939 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -4.365 -16.703 0.958 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 1.380 -4.773 1.068 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 -13.174 12.863 -20.181 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 -11.808 27.919 5.983 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -3.548 2.997 -3.300 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 -4.669 17.287 12.215 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 4.146 7.100 -9.569 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -5.566 -5.048 5.615 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 -21.669 -27.835 -2.965 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 2.986 7.244 10.052 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 3.275 5.401 -4.191 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -6.226 -7.624 -2.766 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -9.249 8.589 -4.739 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 1.311 -0.392 -11.929 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 -14.393 9.096 -9.111 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -12.230 -8.981 -16.874 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 1.675 0.236 -1.245 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 -10.719 0.005 -11.657 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 -1.037 -3.356 -2.200 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -2.521 -0.909 -0.057 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 0.671 10.462 -6.335 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 3.542 -4.587 5.222 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -3.210 1.044 4.765 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 13.614 -21.071 13.965 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 -28.025 2.778 14.095 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 3.682 4.540 2.471 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 11.155 -5.559 13.389 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 16.838 8.353 -8.325 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -1.117 -0.174 3.701 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 -17.456 7.157 5.256 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 21.309 -9.495 4.931 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 5.371 -10.402 -1.496 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 4.961 -5.035 9.470 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -6.640 -3.883 -0.686 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -7.424 2.553 -0.109 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 -0.098 -11.456 7.617 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 -0.152 -25.922 12.562 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 8.101 2.090 0.747 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 -1.447 -6.229 12.223 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -0.198 4.933 3.323 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 5.210 4.484 -5.445 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 8.834 -8.643 -9.990 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -11.869 -38.003 -3.163 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 6.458 -0.123 -4.579 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 7.027 9.130 3.773 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 6.174 6.270 -25.637 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 6.804 -3.878 3.373 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 9.629 22.087 6.115 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 -10.929 -16.361 2.495 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 0.623 6.457 2.827 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 -1.444 5.447 4.258 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 13.389 -7.574 1.329 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 -9.001 -0.483 -3.974 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 17.325 1.874 0.525 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 -18.927 12.103 -4.922 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 -7.074 -1.145 -2.456 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -11.885 -1.370 1.042 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 -4.152 -6.980 -5.892 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 4.429 -2.888 -4.034 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -9.557 -4.359 -28.264 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 -0.779 -13.871 18.029 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 4.714 -0.234 4.111 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 18.152 -1.323 6.651 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -6.982 -0.541 10.032 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 0.023 0.861 3.925 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 24.002 -1.567 10.649 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 18.476 9.564 -23.387 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 5.495 -6.432 -6.425 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 7.111 7.479 -10.752 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 -11.890 -29.470 11.320 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 2.298 -5.172 3.288 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 1.007 2.435 13.013 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 8.447 14.895 -19.888 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -0.582 2.877 -4.451 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 13.569 -5.021 10.205 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 -23.315 1.621 5.824 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 -4.497 -5.239 0.706 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 -14.589 -29.198 -1.265 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -17.766 -2.727 3.079 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 2.442 2.357 -3.575 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 5.002 12.830 -31.641 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 11.886 -4.681 0.452 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -0.734 -1.269 -3.400 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -1.135 13.386 3.435 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 -35.811 19.195 15.141 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 6.289 3.306 5.919 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 6.596 -1.845 -8.351 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -1.381 12.624 4.915 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -0.849 -0.996 -0.773 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 -19.282 -6.676 -4.960 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 6.805 -17.430 21.060 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 3.377 1.183 -5.582 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 6.481 20.548 28.504 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 -3.430 2.197 -5.505 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 -6.948 2.007 -6.767 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -4.727 -0.033 -18.788 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 -11.777 1.958 -7.035 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 3.295 3.058 -5.302 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 3.177 -0.978 -7.647 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 8.380 3.844 -6.465 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 2.508 -8.209 3.196 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 -4.400 1.417 15.212 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 0.414 0.477 10.261 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 1.194 -1.350 1.355 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 -5.325 -6.680 3.488 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 -13.564 -9.628 4.761 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 -3.832 2.612 -2.262 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 2.177 8.900 2.425 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 0.677 14.560 0.546 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -4.127 3.481 -0.764 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 -2.255 -21.128 5.788 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 2.591 6.243 -3.541 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 -6.507 1.103 -2.158 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 1.573 -4.075 -6.767 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -16.136 2.292 4.058 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -4.978 -1.215 4.147 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 8.001 -0.166 1.644 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 18.372 1.684 1.922 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -3.236 -0.975 -3.586 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 -17.527 43.335 7.402 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 4.394 -8.787 -16.971 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 1.043 3.826 -0.413 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 3.528 20.613 -3.912 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 -20.990 -14.748 34.008 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -0.663 8.056 -4.954 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 16.116 -10.099 -12.310 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 -12.798 -4.044 25.870 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 1.450 -2.810 2.710 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 2.901 -15.943 1.411 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 1.418 11.027 1.880 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -4.323 2.399 6.327 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 8.696 -19.556 -8.687 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -7.492 4.931 11.195 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 -4.326 2.811 -0.232 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 1.010 -11.359 -15.285 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 4.337 -16.174 -18.817 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -1.563 -5.317 -6.176 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 -17.632 5.086 -3.946 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 5.067 1.967 -27.586 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 -8.320 -3.180 -5.733 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 -17.452 -22.146 -2.241 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 6.251 22.616 -13.400 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 1.634 -3.834 0.891 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 5.678 4.851 3.165 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 10.036 -0.653 -0.797 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -0.378 -4.784 6.740 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 12.907 -6.932 11.059 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 11.626 2.283 12.351 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -1.086 2.621 -0.963 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 4.495 5.429 3.337 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 0.966 8.633 5.357 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 2.232 2.547 -2.130 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -9.644 11.607 -0.257 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 -2.336 -11.365 2.768 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 0.005 1.849 -2.691 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 -3.695 10.071 3.758 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 10.924 0.949 -0.674 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 1.874 -5.836 3.515 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 20.826 -5.327 2.543 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -0.912 11.199 -12.303 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 1.679 -3.776 0.547 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -6.117 -1.648 13.947 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -2.095 13.217 -18.183 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 5.911 -2.948 -2.119 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -12.488 -8.153 -30.666 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -14.360 7.070 -0.208 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 0.493 3.928 0.789 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 14.966 -9.060 -7.039 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 4.201 12.569 -1.518 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 3.310 -6.979 2.915 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 4.811 -22.960 6.673 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 6.712 -17.302 2.579 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 7.904 -3.420 -2.732 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 12.113 -4.644 -14.625 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 -3.564 1.988 -4.015 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 -1.418 -6.129 -5.845 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 19.797 -3.517 6.766 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -21.184 6.211 20.159 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -2.580 0.374 0.997 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 5.883 16.340 27.318 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -13.727 -13.787 -2.502 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -3.784 -4.611 0.432 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 -7.246 -0.431 8.545 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 -4.505 2.430 -4.417 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 0.934 -2.352 -0.963 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -12.896 0.081 -10.397 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 8.563 4.767 11.724 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 5.015 -4.005 1.710 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -13.943 -15.724 -4.312 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 -1.874 12.494 7.918 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 1.972 -4.463 6.442 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 9.407 -10.301 -5.546 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -1.580 -3.442 -13.538 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 3.371 3.086 4.801 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 10.887 17.550 1.098 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -13.948 13.432 3.310 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 4.182 -5.753 -2.701 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -8.799 -4.484 21.586 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 1.484 5.716 -5.909 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 2.562 1.868 0.224 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 -29.250 -8.501 -2.271 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 -2.425 -0.253 0.895 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 1.863 -0.134 -1.937 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 1.857 -10.087 12.279 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 15.762 11.652 0.373 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 1.318 2.143 -6.143 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 -16.476 -1.783 -37.229 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 10.249 10.165 17.724 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 2.202 -5.863 1.439 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 -0.074 -6.714 -1.582 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 3.186 0.829 5.246 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 -3.385 0.917 2.776 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 10.589 0.925 7.488 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 -11.849 1.133 15.672 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 -2.877 2.300 2.431 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -22.218 -18.265 4.416 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 7.986 4.402 -21.405 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 -0.858 -6.384 -3.556 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 -9.358 -3.443 -1.578 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 11.978 -4.028 -7.269 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 1.185 6.381 8.083 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -2.817 4.622 8.293 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 10.909 -7.473 -12.346 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 3.804 -2.099 4.845 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 25.526 8.645 -2.131 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 1.657 -3.177 -0.750 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -3.847 2.214 -9.383 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 -9.479 1.322 -21.827 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -7.695 14.305 -5.376 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -1.366 -3.867 1.021 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 0.690 0.982 -1.660 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 -0.178 1.759 3.973 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 2.165 0.615 -2.127 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 13.579 -2.792 9.502 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -3.179 1.071 -10.905 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -3.108 2.674 0.123 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -22.621 -26.423 13.760 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 1.405 12.324 -2.548 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 0.240 -2.845 0.610 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 -2.108 7.232 -10.503 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -3.721 -25.056 -4.771 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 1.520 -9.996 -2.259 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 8.818 -12.301 -3.330 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 -4.644 -5.784 -2.473 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 2.091 -2.292 6.694 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 -5.312 -7.114 -0.636 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -8.684 4.897 1.709 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -1.489 4.316 -6.112 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 5.737 -1.755 10.794 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 1.822 2.887 -1.791 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 -0.526 1.552 3.402 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 -12.754 -2.759 -9.086 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 7.967 15.010 20.857 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 5.373 -0.898 0.932 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 10.293 -8.963 -5.587 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 28.687 22.980 0.207 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 3.160 -3.320 3.782 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 9.706 1.368 -21.009 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 -9.125 -6.228 30.664 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 8.904 -3.689 4.446 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -6.214 -13.431 5.280 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 4.720 -7.081 8.240 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 -0.293 -0.369 -2.465 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -16.217 -28.622 2.462 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -7.297 29.599 5.140 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 -3.255 -5.433 9.794 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 -11.003 -16.277 3.726 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 -3.423 2.177 -17.512 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 10.635 -1.550 -2.802 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 3.674 1.172 -36.405 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 9.067 14.656 -24.141 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 0.955 -5.897 0.368 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 3.097 -6.162 1.559 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 2.676 1.707 5.930 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 2.214 2.574 -1.554 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 6.073 1.348 -5.247 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 -2.595 12.909 8.013 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 4.551 -2.643 -2.673 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 3.639 -17.179 11.467 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 2.979 -15.529 11.465 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 3.261 -8.912 -4.503 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 -9.706 8.354 5.998 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 12.881 6.044 8.336 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -13.595 1.204 3.065 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 7.029 -20.259 23.923 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 -5.068 0.331 9.007 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 1.641 1.337 -2.883 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 8.872 -1.523 -3.912 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 12.205 -7.559 -16.186 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 -9.418 -0.766 -0.836 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 0.958 9.757 0.283 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -2.964 -11.258 -9.072 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -3.342 -1.637 -4.177 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 6.564 -8.163 -11.000 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -7.600 -3.996 10.300 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 3.620 5.886 5.129 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 3.312 4.623 4.649 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -24.538 8.836 11.064 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 0.054 6.030 -2.269 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 -3.356 27.682 -14.585 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 1.094 4.091 29.478 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 -8.422 4.858 -2.253 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 3.612 -1.723 -6.741 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -0.913 -2.666 -6.195 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 3.280 -5.350 -8.634 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 1.381 -3.950 -8.009 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 9.723 3.628 -8.048 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -1.543 6.598 5.151 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 1.658 5.868 8.119 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 -2.026 12.971 4.663 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -1.683 -1.364 -2.868 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 1.155 -7.016 -2.556 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -9.423 -8.813 -15.170 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -5.667 3.569 -4.340 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -5.112 12.047 12.734 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 6.085 -0.465 -3.004 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 6.587 2.820 4.489 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 1.917 -13.426 12.674 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 5.141 -5.286 -4.304 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 -1.103 -4.691 3.968 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 -1.630 -6.433 4.325 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 2.152 2.251 4.870 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 3.129 -3.271 6.680 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 -2.842 -0.876 8.297 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 2.707 -5.759 10.968 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 5.130 -5.004 2.909 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 4.506 7.112 12.903 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 11.027 -4.881 -15.170 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 0.850 -0.419 -0.883 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -3.495 -15.051 -23.543 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -0.208 2.705 18.251 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 2.675 -6.283 0.411 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 -13.179 -13.594 5.043 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 -2.407 4.787 9.124 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 0.744 -0.762 -0.221 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 13.924 -8.515 -2.789 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -27.515 12.497 -3.039 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 3.350 5.374 -5.263 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 3.121 0.317 -7.074 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 4.000 7.490 -3.554 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 4.440 1.354 -0.733 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -8.237 13.704 12.213 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 4.692 9.267 -15.120 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 0.014 -2.105 -1.918 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 10.146 -2.870 -1.397 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 -23.920 -0.663 -4.428 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 1.847 -0.584 -2.717 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 9.707 6.865 -2.452 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 5.992 -8.467 -10.063 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 4.399 0.341 5.930 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -3.114 38.678 0.125 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 -0.446 2.086 4.959 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 3.407 -4.836 3.052 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 3.499 -4.487 -2.633 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -11.692 4.595 1.236 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -0.030 5.521 -4.885 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 -1.395 27.967 14.649 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -1.367 -4.876 -29.708 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 6.494 -3.816 6.985 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 8.782 5.308 14.517 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 0.979 -17.954 -3.036 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 0.765 -3.555 1.131 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 0.991 -13.989 -11.403 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 10.796 7.623 -24.571 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -1.332 -3.211 2.312 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -15.802 -7.572 15.900 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 5.991 -0.604 8.220 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 5.880 3.408 5.178 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 6.915 -25.998 15.625 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 2.847 17.865 7.812 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 5.193 0.478 6.367 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -2.980 -15.315 8.386 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 9.303 -12.228 -1.188 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -2.666 -7.410 -11.598 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -15.972 7.908 1.060 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 -0.959 -13.479 -1.383 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 12.091 -6.513 -0.596 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -23.249 -10.597 28.581 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 20.690 -1.237 -0.706 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 4.580 2.739 -1.457 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 18.699 -1.806 21.563 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 27.258 -7.745 6.844 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 2.065 -0.461 2.061 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 9.938 -0.787 -13.158 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 -5.151 4.734 4.334 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -2.873 -1.360 1.166 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 13.257 -9.607 -11.223 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -4.567 -6.780 5.271 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 2.863 2.246 -6.967 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 1.275 0.162 -19.165 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 6.007 5.511 19.878 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 -0.048 5.675 -0.037 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 -6.058 9.477 -24.950 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 -19.366 16.659 -31.940 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 2.736 -0.576 -2.420 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 -4.316 -5.696 2.658 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 11.938 6.251 -8.914 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 3.517 -1.940 0.612 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 10.565 3.399 -32.379 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 5.586 3.713 0.647 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 -1.013 9.125 6.256 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 1.551 -16.862 -18.577 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 28.593 -10.081 -13.027 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 0.093 0.175 -7.818 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 3.965 7.045 9.841 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 16.558 -5.886 -19.805 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 -0.547 -3.951 3.390 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 -10.015 -3.671 -25.582 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 -12.663 11.509 16.096 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 0.398 -3.932 -1.510 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 5.502 10.966 23.554 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 2.550 6.521 -0.206 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -5.961 -1.190 -6.323 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 6.941 4.785 -13.157 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 20.051 9.716 -6.214 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -4.739 -5.801 -2.406 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -5.412 -13.758 -4.535 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 3.307 12.988 16.580 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 3.072 4.430 2.930 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 19.575 40.637 -8.784 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -15.636 -17.575 10.172 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 1.100 0.460 2.935 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 23.282 10.332 -22.490 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -3.561 -0.366 -18.159 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 2.070 3.613 3.179 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 -2.377 6.295 10.222 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 -11.390 14.789 -12.878 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 1.171 -8.618 1.177 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 5.035 17.635 -7.328 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 4.729 -10.337 -1.335 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 4.456 -0.825 0.575 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 -2.860 -14.853 -1.374 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 9.267 -2.001 5.031 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 1.244 -2.490 4.622 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 -7.132 0.334 5.395 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 4.835 -8.757 -1.403 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 0.115 4.018 4.493 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 -5.912 1.683 5.637 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 1.052 13.579 6.625 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 1.209 4.109 1.761 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 10.954 10.682 2.729 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 0.196 -1.558 11.245 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 -7.603 -6.628 1.349 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 -33.198 -19.863 22.140 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 -5.885 -5.870 1.551 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -5.571 1.592 5.294 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 -10.665 6.765 -15.143 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -8.893 -17.098 4.380 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 7.190 0.200 3.845 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -20.188 12.534 -5.660 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 22.026 11.510 16.449 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 1.336 -3.317 -0.696 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 2.707 0.133 4.817 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 23.647 24.507 20.046 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 7.735 -1.887 -2.492 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 4.855 3.288 -6.880 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 15.106 -3.958 -2.789 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 6.021 -1.129 4.701 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 -4.660 -4.219 14.130 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 2.839 13.245 2.112 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 4.748 5.150 3.287 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 -0.812 5.502 7.479 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -1.377 5.352 -5.929 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 -1.064 -5.819 -4.168 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 -7.165 5.970 5.591 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 3.411 -9.536 -9.543 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 6.912 -7.145 -0.570 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -7.357 -0.107 -4.354 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 9.267 -0.542 5.011 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 2.133 1.399 -2.479 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 2.656 8.221 -1.174 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 3.670 5.554 -4.199 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 -2.539 1.208 4.124 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -6.347 -2.781 3.670 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 7.767 10.276 3.195 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 -7.594 2.670 -0.505 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 1.406 6.127 -13.258 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 -15.118 18.731 -9.441 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -0.772 2.697 -2.663 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 5.247 24.753 5.890 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 -1.427 24.800 19.404 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 2.426 -3.552 -2.022 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -7.770 -4.226 9.135 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 15.887 2.237 2.907 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -1.274 -2.219 3.039 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 -1.768 -27.506 2.083 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 25.472 10.473 4.600 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 3.844 3.541 3.428 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 -8.307 -10.582 10.345 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 12.772 -6.265 -8.593 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 5.247 2.081 0.743 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 3.455 -6.141 -17.685 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 7.671 -11.396 1.803 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 0.675 0.539 -5.256 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 5.630 -1.950 -4.709 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 -1.929 -3.510 -7.291 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -0.681 9.444 1.965 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 -7.583 -9.853 2.893 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -5.644 4.531 6.089 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 0.298 0.485 -0.727 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 -1.918 -9.636 -1.104 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 5.148 12.536 0.449 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -1.670 6.413 3.525 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 15.694 -0.343 -25.409 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 7.391 -9.988 1.673 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 -1.794 1.807 0.823 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 -18.876 13.097 -10.943 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 4.911 12.248 -22.668 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 -3.057 3.287 -3.039 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 -4.689 17.372 -1.231 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 5.718 -1.094 -1.297 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 -1.076 -5.541 4.170 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 1.063 -0.179 15.887 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 -6.535 -16.624 6.131 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 0.609 2.597 3.322 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 23.372 -16.230 7.236 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 8.787 3.452 6.155 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 -0.127 0.978 -1.893 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 9.523 5.223 16.967 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 5.871 -9.556 -8.019 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 0.694 7.931 6.948 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 5.612 11.118 9.402 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -5.201 3.892 25.241 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 -4.243 -5.035 -1.280 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 17.099 -14.729 -1.810 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -2.386 10.201 12.394 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 2.260 -2.074 -8.080 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 2.223 1.893 14.419 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 -7.633 -12.209 -5.076 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -2.844 1.469 0.748 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 -3.513 -3.917 -0.535 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -1.717 3.726 -3.212 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -2.818 6.180 2.307 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -8.119 8.827 4.814 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 4.339 -3.298 -18.962 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 2.401 -4.061 -0.800 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -20.400 3.006 -15.223 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 17.860 -16.195 -11.438 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -5.351 -5.608 -3.433 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -12.157 -4.100 -5.627 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 5.100 11.146 -18.964 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 0.215 -1.982 -0.437 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 7.976 -6.227 -0.739 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 0.419 -0.581 -4.370 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 -3.998 1.073 10.672 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -0.980 8.651 5.876 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 -14.750 2.710 6.859 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 3.117 1.593 -6.098 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -19.990 -4.209 8.062 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 12.786 1.058 -1.651 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 -5.179 -8.079 -0.737 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 0.539 -13.989 4.441 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -3.690 -6.149 0.159 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 2.597 2.697 1.165 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 -14.641 10.018 16.024 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -1.159 -17.328 5.447 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 7.794 4.525 3.068 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 -27.643 -17.119 11.346 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 1.061 11.688 25.809 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 -2.068 3.174 -3.296 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 12.871 -21.261 32.376 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 0.717 -1.957 6.492 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 -1.131 -5.904 0.428 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 14.478 4.712 3.381 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 13.752 -17.800 15.839 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 0.867 3.459 -2.057 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 -8.542 6.168 5.445 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 10.364 11.382 1.079 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 0.152 3.508 8.549 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 1.177 -14.829 11.175 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 -16.312 13.508 -7.302 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 -1.899 1.465 -3.261 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 1.491 6.822 -10.299 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 5.367 -4.973 -2.191 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 4.694 -2.629 -2.941 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 3.205 -1.631 -3.181 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 4.202 -2.860 -3.278 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 -1.036 -0.351 6.494 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 9.331 -7.525 -14.961 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -0.049 5.232 -25.004 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -4.059 1.825 4.181 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 1.818 0.449 5.020 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 0.390 -3.261 9.061 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 3.718 3.680 4.787 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 4.313 7.517 2.261 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 -17.277 -28.928 11.468 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -4.498 0.717 5.494 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 13.572 15.947 25.477 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -7.718 -1.937 1.792 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -2.227 3.698 5.641 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -3.222 5.476 5.293 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 -4.886 -12.507 5.211 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 -3.715 3.110 -4.915 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -2.596 0.242 -8.137 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 -10.524 5.168 7.539 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -3.995 3.265 -4.876 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 2.964 -24.147 -5.796 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -15.163 18.188 2.734 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -3.844 1.079 4.903 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 17.729 5.970 -24.055 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 2.940 -17.860 25.249 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -0.410 -2.875 0.702 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 -6.745 19.734 -29.187 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -7.763 14.041 -19.954 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 6.024 1.004 1.378 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -5.745 20.582 -28.467 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 20.561 -1.411 13.790 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -1.409 7.270 -2.160 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 -5.089 2.132 -2.692 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 2.265 14.155 -6.634 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 2.820 8.043 -1.432 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 6.033 -11.900 -2.716 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 3.931 3.223 -1.823 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 5.344 3.002 -4.555 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 -2.478 10.198 -3.852 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 5.446 10.480 3.000 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 -2.466 9.504 2.801 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 -9.381 19.612 -23.250 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 -7.150 3.221 5.699 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 1.339 1.863 2.189 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 36.572 36.461 -12.915 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 13.276 -7.512 25.574 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 2.670 1.279 2.884 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 -2.651 3.852 12.277 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 25.475 7.345 17.716 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 2.672 -4.268 -2.103 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -4.017 -6.408 -10.128 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 12.711 2.137 14.422 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 0.460 3.424 3.935 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 5.462 3.491 4.858 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -20.706 4.456 -6.634 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 2.540 5.688 0.213 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 20.284 10.730 -11.348 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 -15.822 -38.874 -38.866 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 2.907 2.772 7.052 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 3.248 13.752 18.166 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 -9.761 -5.516 11.396 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 1.447 5.112 -1.838 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 13.504 0.522 10.880 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -2.959 -13.598 -6.785 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 5.039 0.161 -4.961 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 -9.037 -1.939 -9.727 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 -8.368 -6.135 -8.102 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 1.895 0.940 -1.682 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -3.728 2.946 -1.793 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 6.658 -0.466 -5.371 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 1.677 5.493 9.885 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -2.862 12.983 -8.284 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 -0.414 20.338 21.280 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -1.266 4.297 2.633 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 10.923 12.451 -8.604 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 -19.581 33.888 8.528 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 4.620 -1.178 -1.991 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 4.105 4.825 -18.816 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -27.984 7.079 -32.816 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -5.419 2.819 -4.856 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 -1.276 -4.567 4.612 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 -4.500 13.159 -17.460 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 0.159 5.204 2.391 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 3.384 6.927 -20.291 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 7.909 7.137 12.962 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 -1.589 -5.221 -3.774 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -5.383 2.036 -7.364 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -7.293 -12.528 -4.922 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -1.014 -1.035 -4.629 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 -25.924 -21.413 -14.206 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 -1.640 -0.599 -3.265 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 1.776 -5.630 -9.436 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 -4.320 9.917 4.336 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 14.881 -1.877 -1.283 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -0.627 -5.870 -13.493 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 1.379 -7.757 -10.526 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 14.531 -16.844 -7.959 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -1.884 0.195 1.772 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 -17.674 -37.473 13.340 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 8.854 1.440 -9.480 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 5.512 -0.610 -4.875 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 21.178 11.343 -1.750 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -2.003 6.860 -23.752 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -1.714 -0.666 -2.744 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 -0.185 22.640 -37.936 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 -11.985 -5.066 -2.016 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 -5.948 1.441 -12.186 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 2.125 12.288 -0.698 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 -13.383 6.910 -2.588 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -1.224 -0.442 6.880 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 16.208 -1.072 -10.487 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 1.161 -16.462 -3.277 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 2.769 -0.672 1.207 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 0.760 -13.172 -3.768 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -6.016 -5.469 7.254 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 -0.436 1.550 3.821 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 -1.903 -4.451 10.655 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 -2.993 -6.517 8.731 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 -2.164 -10.710 -2.086 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -1.607 -3.948 -10.524 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 -8.573 -6.569 -4.110 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -6.206 4.095 -9.372 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -8.173 6.228 -0.726 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 8.721 17.692 -22.836 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 5.132 0.789 -5.956 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 8.986 -0.394 -4.899 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -17.243 18.989 -3.476 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 4.381 2.368 6.899 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 10.313 13.469 19.229 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 12.101 -2.363 4.912 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -2.132 2.246 -5.919 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 2.060 -14.136 -9.626 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 5.323 0.292 4.612 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 5.863 -2.200 0.752 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 11.348 -16.892 22.359 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 -7.575 4.867 -11.564 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -1.562 -2.623 1.995 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 14.165 -14.947 -11.046 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 4.553 -12.270 7.984 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 -0.893 -2.279 4.122 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 15.953 10.131 -6.042 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 9.193 -16.417 -1.378 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -1.745 2.768 10.192 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 -4.939 1.623 15.584 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 -0.233 -2.609 14.839 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -2.886 -6.137 -1.525 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -9.137 -4.394 -2.861 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -1.840 -6.595 3.373 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 -0.487 -1.899 1.168 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 17.034 -14.287 0.341 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 5.870 -29.315 -25.429 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 -0.615 -2.913 2.457 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 8.281 -6.521 -8.335 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 2.128 -2.337 -4.336 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 4.259 -5.383 4.566 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 2.599 -4.291 14.575 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -0.696 -5.092 3.245 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 3.650 5.171 -3.170 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 10.149 18.983 15.586 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 -9.542 -20.989 9.283 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 2.380 4.564 -2.937 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -9.167 4.404 -8.947 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 5.456 2.658 -3.786 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 -2.445 0.885 4.667 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 -15.186 17.325 11.830 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 14.284 13.666 2.075 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 -1.380 1.365 3.179 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -8.845 7.178 -9.402 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -8.113 14.398 -11.865 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -9.019 0.179 -3.041 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 2.168 -15.966 6.113 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 5.266 13.713 10.146 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 0.942 0.058 6.289 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 9.943 -5.376 4.541 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 1.312 0.881 17.232 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 1.030 4.965 -0.724 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 -8.426 2.376 11.112 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 6.305 12.422 4.692 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 2.209 -9.252 -0.862 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -0.599 -5.071 -18.790 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 1.553 -1.884 7.629 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -0.561 -3.367 0.542 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 7.557 -14.719 0.048 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -12.597 7.307 -0.092 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 3.580 -3.925 -1.900 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 22.727 8.787 -16.490 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 12.800 -6.069 -2.284 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -3.661 0.173 -3.690 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 7.202 -20.618 -4.254 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 -6.108 -12.764 3.720 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -2.010 -1.885 2.969 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 3.787 5.182 12.301 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 18.803 -5.199 1.350 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 3.819 -6.159 7.999 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 10.713 -4.509 10.117 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 0.927 -7.477 7.444 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 0.504 4.368 -0.690 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 5.317 13.138 -9.569 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 9.350 -18.362 18.239 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 -5.995 5.990 2.910 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 -25.262 6.968 -4.705 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 3.451 -1.812 3.777 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 3.589 -2.292 -4.125 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 -15.630 -3.117 5.896 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -11.662 -26.263 11.955 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -1.424 -8.562 2.517 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 2.081 -13.095 15.637 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 -3.710 5.869 14.799 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 1.344 -0.805 -2.590 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 6.733 -2.602 -3.907 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -1.216 -0.299 -8.531 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 0.598 0.508 -7.456 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -2.351 12.361 2.905 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 3.201 -7.223 7.816 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 1.243 6.535 -1.973 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 12.339 -12.629 3.140 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 1.518 -1.521 -5.700 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 6.522 -2.188 -8.053 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 -11.413 -1.005 0.604 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -4.771 -2.906 -17.750 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -0.738 -3.165 3.585 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -3.876 1.368 9.882 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -8.153 -3.201 -4.393 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -2.768 -2.620 6.377 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 2.871 -14.570 0.461 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 5.184 3.743 -10.053 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 -3.740 -2.649 1.014 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 12.145 -13.689 4.159 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 -16.247 13.853 3.428 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 -8.422 -2.419 -5.463 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -27.724 -26.190 -2.470 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 -2.153 5.255 5.441 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -11.754 1.224 -3.611 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 -8.058 -10.128 -9.446 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 -22.423 -4.617 2.191 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -0.405 -3.724 2.599 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 33.726 -14.604 30.929 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 5.310 5.699 -23.566 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 7.126 5.470 5.817 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -4.934 3.056 -13.679 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -13.864 12.783 3.797 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 6.419 -4.263 5.156 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -8.062 8.063 2.031 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 3.701 13.641 -0.399 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -1.764 -4.525 -4.368 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 1.799 -12.822 4.056 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 17.884 14.137 8.825 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 2.727 -5.061 2.886 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 -16.719 -2.227 4.762 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 21.876 -7.800 -26.581 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 -0.759 -4.325 -6.980 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 1.492 6.793 -9.403 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 2.558 15.798 -8.815 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 0.459 3.169 2.617 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 -27.541 17.979 23.164 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 -5.560 20.911 -28.666 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 2.319 0.551 2.576 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -1.459 -3.342 -6.696 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -11.421 9.488 4.475 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 6.564 -5.095 -0.862 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 6.320 -3.037 -6.247 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 6.364 -3.949 -3.283 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 -6.826 -3.524 -0.136 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 3.672 -3.245 5.223 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 9.005 0.564 -22.542 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 7.400 7.939 -0.147 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 0.364 21.105 38.057 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -4.260 5.298 -0.279 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -0.651 -3.409 5.251 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 11.432 -0.919 -1.249 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -15.788 -8.255 -1.757 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 0.546 -1.692 -3.733 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 -3.157 0.172 -21.653 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 -22.217 -29.586 -6.501 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -7.158 3.870 1.933 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -0.631 -3.324 2.961 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 4.715 -5.141 0.608 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 4.032 -1.769 -0.914 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 10.320 -4.217 -13.780 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 -6.931 6.087 -2.586 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 1.206 -6.770 4.033 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 -7.835 4.131 -4.181 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -24.343 -4.676 -17.790 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 2.635 0.933 2.902 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 7.205 15.708 7.298 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 4.389 2.795 1.819 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 2.369 0.028 1.407 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -3.973 -2.443 10.463 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 1.413 -10.728 -20.558 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -3.813 -0.242 4.155 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 -18.963 4.022 2.942 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 -8.789 18.450 20.699 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 -1.788 -6.056 -4.188 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -7.470 -12.374 -11.073 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 27.907 1.468 -9.686 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 1.974 -3.511 -3.322 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -10.224 -0.406 3.309 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 10.725 -6.527 -6.930 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 0.064 -0.245 0.968 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 -1.459 -0.367 -0.169 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 0.325 5.795 2.391 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 -3.317 -0.429 -3.360 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -5.906 5.780 -3.138 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -2.480 21.502 -1.756 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 0.923 -2.322 3.078 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 -0.531 -17.711 -1.332 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -3.730 -29.734 1.484 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 0.045 2.006 -5.968 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 9.646 -5.162 5.097 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -2.331 6.048 -7.410 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -1.447 -4.473 -4.228 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 30.615 4.444 -22.675 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 4.445 -34.676 -17.460 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 7.224 -1.405 3.312 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 19.447 -11.990 -0.088 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 -6.022 8.917 -5.971 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -0.546 -3.485 -0.664 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 4.764 3.468 2.233 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 21.781 -6.784 -2.514 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 5.470 2.627 -0.749 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 -3.968 9.776 18.844 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 7.836 -5.131 4.189 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 8.000 6.925 -3.456 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -4.657 10.800 -12.201 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -3.580 17.220 36.963 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 -5.836 -2.012 0.458 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 -8.546 18.277 3.630 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 -12.758 1.614 -22.193 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -3.246 1.833 2.779 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -5.607 -8.758 -5.720 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 -1.764 8.666 -2.828 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 2.308 -4.295 11.299 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 -6.131 -8.679 -3.983 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -2.200 -1.368 4.132 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 -5.975 -5.765 -2.516 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 -7.531 5.679 -21.748 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 -7.230 1.958 -15.818 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 1.349 3.557 -7.649 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 13.230 -1.108 -4.796 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 -3.372 9.274 -5.653 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -0.769 -5.438 4.440 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 -7.786 -4.832 -1.598 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 -4.151 -9.560 12.291 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 1.294 -7.904 4.992 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 42.432 -23.997 2.580 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -3.683 -8.694 -1.039 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -5.237 -3.604 -1.549 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -12.275 -5.025 -4.718 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 -0.103 -5.645 17.365 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 6.227 -3.917 -7.345 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -11.512 30.584 -9.769 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 21.363 9.789 10.959 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 -1.509 -4.372 -2.641 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 -33.457 4.330 0.115 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 -0.865 -5.233 -6.124 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 3.255 -3.214 4.482 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -0.639 -15.809 10.294 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 -2.655 -2.098 -10.267 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -7.709 1.704 -4.811 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 -16.374 -3.546 -1.661 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -7.019 6.568 -7.869 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 4.998 2.188 -1.918 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 -14.004 12.202 13.189 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -1.789 13.002 -27.120 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 3.835 -1.772 2.476 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -3.690 3.986 4.287 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 8.625 1.872 5.328 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 2.161 -0.597 5.935 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -5.367 -8.719 -1.355 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -3.245 -9.226 -1.236 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 -7.043 4.962 -2.019 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 0.020 -10.413 6.900 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 -3.961 17.449 24.193 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 -6.830 3.356 3.530 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 -9.942 -6.617 1.417 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -12.874 -7.585 -9.934 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 -6.598 2.673 -4.713 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -13.418 -5.179 7.278 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 4.239 4.373 -19.018 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 1.221 -3.839 0.495 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 -9.471 -8.306 8.065 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 11.272 -11.436 12.805 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -2.835 4.739 -11.492 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 9.362 -9.265 -17.757 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -10.931 12.795 -1.234 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -0.584 -1.346 2.578 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -1.725 1.529 8.201 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 6.628 9.034 -3.638 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 -5.916 -5.233 0.898 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 1.072 -0.800 -4.744 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 20.276 26.234 -11.589 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 0.175 3.314 1.393 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -3.969 -15.105 -16.490 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 5.132 4.606 -14.414 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 1.340 -5.651 0.962 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -16.523 -2.994 3.344 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 11.568 5.192 6.945 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 1.025 -0.520 3.007 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 7.783 -11.893 -13.080 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 16.419 1.625 13.633 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -1.914 7.894 -2.118 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 10.399 4.766 -16.658 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 5.504 0.916 7.028 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 -1.610 0.939 -8.790 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -2.611 13.496 -8.529 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 3.163 -8.384 16.808 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 0.384 -2.479 -8.450 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 9.939 -9.733 -7.640 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 -2.900 0.468 2.677 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 5.857 3.735 0.150 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -20.167 -9.254 -5.803 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 9.109 0.436 -10.267 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 -2.980 -5.522 1.621 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 -5.377 -8.393 -15.576 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 -10.197 8.112 0.676 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 2.940 3.873 -3.490 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -16.369 -20.222 14.163 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 17.038 -26.264 -8.234 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 3.826 4.349 4.653 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 1.771 -8.965 10.011 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 0.023 -5.129 -1.518 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -2.212 -1.888 -7.592 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 14.732 1.593 -2.313 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 0.315 -2.392 -14.425 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 -0.103 -0.361 5.368 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -5.927 -3.723 -4.456 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 2.374 6.762 4.812 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 3.814 -1.770 -4.946 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -1.721 24.485 0.084 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 19.516 -0.889 13.208 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 -1.342 0.037 -1.238 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 28.554 12.979 -12.727 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 -1.411 10.670 11.301 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -4.169 7.654 5.423 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -24.177 15.869 -0.627 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 9.715 24.903 2.965 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 -3.326 -1.924 -3.163 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 10.613 13.454 8.825 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 -5.638 -7.303 1.243 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -1.615 -2.173 1.404 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 4.699 -3.763 -8.096 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 1.612 -14.986 6.380 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -0.510 1.666 -4.546 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 2.067 -10.592 1.166 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 2.625 4.116 0.385 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 8.205 5.468 -0.539 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 8.341 -12.455 -8.098 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 2.187 5.995 3.403 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 -10.688 -3.927 -4.772 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 -22.647 -1.384 -9.245 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -7.049 -8.686 3.835 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 2.919 -1.241 0.491 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 7.226 -16.640 12.685 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 -12.571 -6.825 16.804 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 2.796 -0.330 2.153 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 19.550 37.171 18.118 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -20.132 7.131 12.778 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -0.101 1.946 1.192 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -29.895 7.156 2.403 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 2.892 0.388 1.195 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 6.411 -1.237 -2.499 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 12.520 -9.356 -2.819 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -0.371 1.030 9.712 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 0.214 -0.544 3.344 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -6.530 -12.831 1.048 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -11.401 3.463 4.852 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -6.656 7.034 7.154 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 -14.965 7.563 10.573 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 -0.694 8.967 11.561 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 -5.467 -1.084 -4.253 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 -12.921 2.239 -14.310 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -5.527 11.234 6.963 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 4.058 5.613 4.108 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 5.951 -4.364 4.284 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 8.872 10.593 -7.350 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 0.753 -2.057 3.242 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -10.257 -11.907 -9.465 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -5.208 19.372 13.784 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 2.052 2.691 2.331 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 -3.704 -10.437 1.449 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 16.638 9.879 -1.659 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -1.052 -1.900 10.584 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 -25.753 2.855 15.420 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 -4.947 -1.825 8.771 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -4.160 -0.116 -0.628 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -19.706 -10.961 13.609 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 12.462 5.075 5.545 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -0.218 2.012 1.069 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 7.818 0.970 5.218 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -4.723 -4.725 4.517 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 3.218 4.849 6.597 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 11.703 13.971 -15.698 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 3.775 -1.764 9.330 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -0.894 -4.841 -1.467 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 8.655 0.382 10.475 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 -0.048 -1.204 18.270 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -2.331 -2.037 -5.193 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -5.768 1.725 -0.806 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 -0.052 -7.494 -0.425 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -1.489 2.392 -2.977 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 17.213 -16.849 20.836 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -3.584 -2.974 1.119 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 -1.639 0.064 -0.616 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 -1.136 -11.339 -2.789 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 14.141 -4.538 -6.228 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 -0.660 2.466 1.978 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 -18.568 -13.076 -6.362 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 15.457 -8.304 1.234 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -0.638 2.152 -3.556 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 10.234 0.468 1.168 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 -8.425 3.127 -7.673 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -8.036 2.077 8.509 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -20.330 23.658 -5.901 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 0.406 -23.364 -10.038 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 6.459 1.022 1.864 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -0.108 -4.181 -0.895 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -6.670 -10.912 13.355 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -6.839 2.089 -2.712 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 -10.321 -13.683 6.654 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 2.710 14.312 9.647 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -3.828 -4.227 -2.629 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 -7.211 -0.636 -22.223 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 -14.929 -18.777 -10.061 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -2.819 -0.296 -4.111 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -2.976 -23.098 2.578 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 12.418 -14.726 7.193 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -10.613 3.700 -4.305 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 9.498 5.363 3.597 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 -4.826 -8.714 -27.209 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -7.482 -3.476 -2.265 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -11.070 -2.384 -4.911 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 -8.783 4.469 12.192 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 4.213 2.575 0.645 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 8.375 -3.514 -0.553 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 8.145 3.975 -2.372 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 -2.739 -1.805 -2.166 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -6.702 3.210 -0.849 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -2.927 -9.751 17.663 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -2.394 2.733 3.050 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 -8.985 -5.077 12.267 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 7.949 -11.663 -5.629 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 -0.865 -3.759 5.022 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 8.780 -0.678 11.448 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 5.488 -3.641 -10.925 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -2.439 -4.803 2.914 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 18.359 -11.701 1.852 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 19.847 5.617 7.817 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -0.681 -1.603 3.034 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 3.933 5.074 -6.211 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 2.005 -7.703 14.359 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 -1.427 -2.380 -1.359 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 -4.468 -3.971 1.482 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -29.392 -18.806 8.349 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -1.624 -0.013 -3.058 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -3.525 -0.940 -5.468 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 8.598 3.096 5.629 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -1.154 2.797 -3.598 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 0.498 -0.593 -6.214 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 0.390 1.398 -5.432 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 1.132 -2.103 6.323 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 17.112 -10.441 2.778 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 2.085 10.871 3.096 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 4.430 -6.222 0.768 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 10.616 -9.211 9.891 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 -7.101 0.370 11.944 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 -1.664 -6.005 -1.371 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 7.585 5.858 -2.203 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 -5.559 -12.243 2.254 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 8.886 -3.419 0.547 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 5.348 -8.100 -6.939 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 9.330 -13.732 -7.363 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 0.282 2.204 -3.039 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 24.341 5.616 -12.735 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 6.633 -14.923 -2.492 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 -2.634 2.000 2.281 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 18.343 15.696 -16.138 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -12.504 -5.696 9.951 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -6.428 2.564 2.402 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 22.011 -5.634 23.495 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 -13.044 -2.515 23.778 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 5.115 2.814 -0.274 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 7.709 11.687 6.104 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 2.285 0.787 -10.361 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 4.407 2.188 1.181 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 0.913 -0.101 2.293 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 -4.226 4.586 -17.815 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 2.485 -2.903 1.016 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 1.477 32.562 -16.807 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 -25.169 -4.056 9.814 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 6.358 -0.380 -5.278 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 5.759 1.014 -7.316 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 4.787 -3.490 2.304 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -1.777 -2.480 -6.816 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 1.515 -12.624 6.475 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 -1.601 -3.830 -5.808 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 5.788 0.985 -4.762 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -16.238 -3.906 8.683 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 0.348 -4.733 -6.172 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 2.771 4.176 -0.423 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 4.837 -14.212 -0.318 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 -8.486 2.002 -14.542 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 3.993 -1.036 5.815 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 18.359 0.040 7.328 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -2.173 7.185 16.253 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 -4.334 -5.488 -0.610 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 -2.808 -1.074 -4.832 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -7.822 -20.992 15.833 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 0.420 -0.048 -3.104 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 -19.340 4.929 7.385 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 -6.930 -0.003 12.929 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 -5.788 2.732 -4.575 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -27.991 17.484 -3.157 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 -3.989 -6.072 31.351 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 5.520 -0.388 1.611 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 16.795 -3.579 -2.967 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 11.480 18.747 12.236 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 -0.320 -5.844 -1.248 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 -6.556 2.074 -16.353 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 5.009 -3.782 3.216 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -6.006 -1.464 2.544 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -18.716 -7.869 3.907 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -9.528 -7.398 0.988 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -5.303 -1.980 -11.673 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -5.087 2.081 -29.835 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 -10.972 -20.922 -13.079 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 4.610 -6.670 -2.066 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -2.179 2.216 -21.756 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 -2.269 -4.002 5.262 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -2.596 -0.811 6.275 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 10.133 -19.921 -10.856 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 -0.715 3.834 -4.962 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 0.185 -0.052 7.763 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 13.716 8.247 7.595 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -1.107 -18.978 -6.900 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 1.695 0.155 3.340 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 8.559 7.244 -13.256 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 11.764 -16.195 9.049 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -6.382 2.166 1.601 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 -14.827 -3.755 9.308 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -2.272 -9.897 -2.600 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 4.841 -1.714 -2.486 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 4.917 -2.787 32.585 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 -17.121 -6.347 3.825 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -4.101 -0.152 2.991 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -6.940 -2.232 -5.591 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 -0.346 6.754 4.575 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -2.837 -7.217 4.396 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -4.064 -1.219 27.602 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 3.692 -0.641 9.921 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 4.394 -3.478 3.920 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 0.507 4.339 13.305 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -4.914 -9.895 0.261 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 1.416 1.101 9.027 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -9.780 -11.770 13.805 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 -8.894 13.492 2.733 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 1.116 -7.378 -5.828 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -19.619 22.602 3.602 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 7.852 -4.676 -11.847 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -5.810 -1.102 -0.409 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -2.726 -8.955 5.044 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -7.350 1.179 -1.559 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 5.186 1.700 -6.347 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 -8.295 15.333 -8.091 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 13.687 5.996 -8.911 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 0.588 -7.658 8.193 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -3.888 -12.709 -16.344 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -1.066 -9.070 0.954 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 2.209 2.159 -2.053 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 9.798 -0.987 0.557 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 6.589 20.706 10.720 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 -7.679 2.945 -1.922 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 14.076 -1.634 7.712 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 6.416 -1.391 -1.758 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 4.102 1.592 0.527 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 22.750 16.029 27.905 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 -9.154 14.042 -7.930 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 6.057 4.690 -4.855 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 -5.368 14.818 -2.829 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 1.145 3.313 -21.846 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 0.165 -3.923 -0.174 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 5.138 -10.210 -0.811 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 24.835 -28.551 -9.906 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -2.077 -1.023 5.506 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 -1.009 17.002 14.555 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 2.913 -12.316 10.965 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 -1.007 -1.947 -0.116 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 10.936 -17.095 -0.003 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 -7.409 3.876 -7.680 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -0.674 -3.759 -0.229 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 24.715 -1.903 0.596 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 7.423 -15.547 23.969 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 0.364 -0.667 -1.764 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 3.706 1.157 5.369 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 4.023 -8.541 3.724 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 5.272 -1.601 -2.370 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 2.166 8.750 13.142 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 4.108 1.277 2.631 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 -6.976 -1.850 -3.887 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 0.662 17.814 -4.353 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 7.278 -11.698 6.957 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 7.591 -0.758 0.762 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 -2.727 3.790 -10.531 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 4.446 -9.349 20.949 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 2.187 -1.157 -2.098 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 1.253 0.026 -3.438 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 3.286 0.137 -4.541 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -3.771 -9.865 3.179 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 -9.612 -8.199 -7.849 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 10.265 -2.917 12.258 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -4.894 2.100 -6.257 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -17.801 30.285 -10.547 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 1.042 -11.592 -4.423 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -8.979 -1.468 0.185 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 -5.726 8.628 -8.309 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -17.440 -0.531 -3.813 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 -5.861 -7.167 3.265 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 -5.206 -2.554 10.774 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 7.933 -4.542 -6.546 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -1.651 -1.942 -3.664 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 -17.794 8.324 -9.220 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 -2.642 8.857 -3.816 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 3.424 -2.893 4.726 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -13.392 -3.997 -12.656 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 26.794 -0.256 -9.285 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -1.192 -3.052 -3.500 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -3.046 -3.211 -4.771 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 12.754 -7.659 -3.312 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 1.234 -0.833 1.859 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -0.483 3.528 1.020 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -7.083 16.196 -6.495 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 2.820 -0.422 2.358 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -14.273 -5.752 -7.585 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -13.359 -3.533 4.561 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -5.693 1.357 -3.260 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 4.156 10.028 9.891 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 -1.989 -15.970 -9.170 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 3.452 0.487 4.766 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 13.128 28.180 4.038 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 9.372 3.187 10.894 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 4.105 -3.093 0.633 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 1.498 22.078 5.931 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -13.647 -4.460 -19.636 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -3.116 -1.098 4.174 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 2.024 5.419 -13.780 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 -7.756 -8.611 27.551 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 1.655 -4.827 1.558 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -4.369 -6.005 20.646 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 19.497 8.248 5.341 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 2.846 -0.738 3.390 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -12.136 -32.846 -1.021 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 -15.188 -36.617 -4.457 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -1.840 0.096 1.850 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 22.556 -16.133 -11.426 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -19.395 19.192 10.112 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -1.344 3.023 -0.761 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -9.768 3.840 16.360 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 1.043 -4.534 5.313 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 4.783 2.616 -1.878 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 20.939 2.876 13.100 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 -24.344 1.316 -30.815 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 0.456 -3.112 4.911 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 8.209 16.950 17.106 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 0.531 -6.531 7.184 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 -3.337 2.790 -1.807 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 -22.002 6.193 4.926 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 2.155 12.866 -14.000 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 -7.983 -2.088 -5.388 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 18.296 -2.052 12.582 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 -23.344 -0.348 -12.072 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 -0.222 0.632 1.320 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 -2.606 -8.818 2.385 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 21.364 7.710 0.106 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 -6.108 -1.965 2.109 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -9.644 -0.535 -12.593 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 3.011 7.134 4.537 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 -2.108 -11.595 1.374 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 3.700 1.909 -7.152 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -15.174 11.534 -7.086 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 1.900 -0.378 -2.868 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 7.331 11.694 -18.217 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -9.406 -1.501 -6.928 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 5.780 -1.320 -0.413 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 3.336 -1.229 -3.781 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 3.193 -1.222 2.164 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 3.860 -9.135 5.316 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 5.011 -0.077 11.001 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 4.788 29.449 17.574 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 1.225 -2.735 -0.769 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 -7.711 2.520 7.504 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 8.248 -10.142 -22.151 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 8.618 2.310 2.209 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 -3.159 20.280 7.402 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 -8.647 24.904 -37.481 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 -0.827 -2.319 3.911 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -8.197 -4.292 -7.748 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 8.791 2.975 10.690 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 1.489 4.124 -4.111 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 -2.002 -1.895 4.640 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 8.392 11.639 2.220 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 1.024 -1.950 3.243 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 -4.925 4.166 17.232 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 0.356 -5.770 -0.282 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 2.197 -7.893 0.235 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 11.585 -6.451 6.764 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -2.238 -0.682 -7.513 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -1.666 -6.807 -7.495 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 19.579 -6.547 -7.345 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 3.298 -7.273 -8.502 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 1.413 4.803 5.535 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -22.084 -4.279 3.768 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 9.423 -5.910 18.847 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -4.359 0.635 4.020 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 21.314 -9.127 3.609 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 6.748 8.380 8.614 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 4.121 -6.249 -4.276 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 2.310 8.400 -17.110 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 -4.810 1.345 3.804 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -5.662 -2.383 6.653 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 8.289 9.917 17.887 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 -5.103 5.592 -13.844 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 -2.002 1.039 -2.850 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 0.609 -21.422 -7.017 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -13.622 5.496 -10.205 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 5.954 3.077 -4.111 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 12.100 -1.394 5.116 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 16.015 -2.816 13.230 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 1.762 -0.514 0.939 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 9.697 10.303 -2.094 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 2.641 2.367 -8.938 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 0.297 3.194 1.776 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 13.219 0.644 1.445 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -16.445 9.649 9.369 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -2.406 -0.297 -7.468 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -13.088 3.054 0.602 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -14.001 -2.803 -0.588 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -1.665 -9.504 -3.810 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 1.837 5.582 3.329 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 15.658 -9.325 -0.405 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 1.028 -7.678 -5.473 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 -22.045 -5.507 -9.207 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -13.662 13.154 17.951 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 1.475 2.152 5.535 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 -14.359 -14.411 8.839 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 6.860 10.345 1.940 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -4.020 4.149 4.182 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 2.195 -3.281 -3.133 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -3.828 19.662 2.905 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -6.874 -7.000 0.116 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 2.119 -25.420 -9.004 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 12.759 -6.894 1.086 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 4.113 -5.034 -0.605 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -16.385 8.929 -7.411 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -11.471 15.764 -5.946 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -4.206 1.550 -5.957 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 -7.221 -19.103 11.430 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 -3.707 31.536 -0.556 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 0.617 -2.739 -0.396 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 4.327 -28.656 -5.259 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 19.427 -7.175 16.775 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 2.149 -0.608 -2.208 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 3.926 8.516 4.647 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 10.470 3.026 1.823 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 1.980 0.059 4.534 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -0.465 -10.396 6.966 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 3.598 -19.728 5.951 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 -5.824 4.343 4.839 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 9.193 11.592 -16.929 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -2.054 -6.092 -8.580 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 1.338 4.163 -4.765 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -2.860 28.547 -14.388 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -0.589 -1.873 15.863 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 4.625 0.724 1.072 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 40.256 -17.528 22.874 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 5.872 10.853 -16.813 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 0.714 -1.348 -2.143 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 -1.661 0.111 -1.303 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 12.656 2.473 -9.761 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 6.032 -6.803 -1.436 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 1.909 -0.658 -7.709 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 9.759 -15.703 6.710 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 0.678 -0.273 2.506 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 20.647 -4.759 14.569 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 8.244 3.023 3.946 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 1.303 -7.416 -3.974 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 30.193 23.115 -19.151 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 -1.753 4.150 7.688 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 2.180 3.890 1.749 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 -0.078 -12.487 6.176 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 -5.025 0.652 10.891 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 2.080 -1.301 -6.386 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 -5.455 17.693 -0.831 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 7.311 -13.722 -8.521 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -3.261 2.044 -1.947 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 9.928 -3.695 -4.680 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 10.317 20.198 -19.180 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 -4.164 3.346 -0.194 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 -23.386 7.603 14.949 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 23.785 -10.986 -4.414 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 3.417 3.309 1.309 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 20.824 -28.898 -20.847 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 6.026 27.686 11.204 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 2.625 -5.534 0.529 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 -7.900 -6.259 -7.127 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 11.121 1.108 -6.362 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 -4.908 8.631 0.771 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 11.010 16.021 -9.125 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 8.942 6.911 -11.656 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 0.444 -4.797 7.221 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -6.952 -2.278 -3.193 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 1.936 -18.565 8.388 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -4.197 0.195 -7.796 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 -11.812 7.504 -23.540 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 16.926 8.385 49.000 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -2.351 -5.283 -6.111 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 1.522 2.669 -11.499 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 1.607 -7.745 -11.984 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -1.782 -12.598 -2.136 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 11.146 -6.067 19.285 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 1.715 -10.662 4.047 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 6.161 -6.168 3.741 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 8.949 -7.737 0.742 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 2.128 -8.429 3.573 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 -1.870 -7.333 2.207 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 10.278 -4.568 -12.609 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 13.275 -4.872 -3.258 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 8.105 -5.087 -3.243 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 29.014 -8.089 -0.087 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -0.315 -4.157 -3.436 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -1.820 -2.599 5.443 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -15.204 17.162 5.167 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 2.551 -12.027 12.390 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -4.050 1.426 -2.466 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 -9.464 -3.601 -2.662 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 3.278 12.448 -1.237 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 -2.136 -1.191 5.425 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 -14.659 -1.424 4.092 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 -0.913 -2.923 -1.594 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 3.710 0.456 4.493 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 29.141 6.999 -10.257 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 14.103 1.737 28.004 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -0.575 8.206 -2.000 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 7.847 8.190 11.955 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 3.286 4.512 -6.783 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 -6.631 3.781 0.069 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 21.655 19.436 -13.086 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 -17.951 -6.162 -33.584 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -3.834 4.209 -1.448 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -8.211 -37.696 19.301 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 5.465 5.731 -13.411 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 -0.426 1.140 1.897 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 15.031 -12.638 -17.838 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 -12.471 27.004 -14.711 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -2.081 8.106 2.572 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -8.626 -3.685 1.283 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 6.101 11.069 -14.241 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 -2.385 3.889 -3.861 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 -5.117 -14.065 15.968 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -6.079 6.140 -10.552 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -7.236 1.359 4.102 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 -24.260 -23.255 -2.653 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 7.199 12.354 -1.453 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -1.115 0.011 7.020 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 -16.093 -12.435 6.561 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 7.476 -1.616 23.108 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -3.693 -5.065 4.681 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 5.309 1.342 -7.577 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -1.977 -3.574 2.023 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 -3.291 1.172 1.881 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 0.117 -15.391 -13.187 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 -13.958 13.679 -12.373 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 2.094 3.699 -0.424 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 -9.219 2.062 3.025 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 10.922 3.453 -6.860 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 5.017 -1.563 -3.672 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 16.692 -9.847 -12.471 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 -6.276 8.128 5.222 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 4.671 -8.758 5.685 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 11.120 -5.752 18.478 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 23.255 13.711 5.874 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 2.272 -0.098 0.575 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 0.536 -0.955 -2.005 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 2.247 0.482 1.094 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 5.527 -0.874 -5.349 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 10.776 -3.227 -4.045 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 5.306 3.820 -14.406 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 0.519 -6.540 0.495 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -19.223 9.224 20.536 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 8.716 -17.266 -13.227 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 5.727 0.080 -3.601 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 6.583 -10.380 9.126 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 -29.204 19.340 -6.391 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 0.227 -1.693 3.989 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 -4.235 -2.860 5.605 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 -0.004 -1.274 4.066 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -5.041 1.579 -1.083 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 6.723 -3.296 0.689 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 -0.163 11.141 7.396 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 5.298 1.370 10.428 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 6.324 -4.720 1.277 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 -3.855 4.785 10.718 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 -0.781 -7.785 -4.751 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 0.710 -6.479 -4.833 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 0.191 -14.982 -5.195 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 0.407 3.262 4.052 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 -5.900 13.329 5.384 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 3.081 -2.491 8.147 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 6.205 -3.767 -6.038 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 1.732 -8.764 -5.166 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 20.534 -6.359 -5.248 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 -1.563 -0.703 3.033 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 2.051 10.813 -1.758 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -5.811 -7.100 1.566 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 -2.695 0.608 -5.548 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -4.507 4.583 6.953 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 -8.339 0.829 -25.437 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 -0.159 -0.860 -4.631 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 11.435 -2.681 -2.472 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 -5.113 -16.896 1.702 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 2.975 0.275 3.821 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 3.625 -2.065 6.149 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 0.179 10.852 -9.785 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 4.086 -1.333 -1.744 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 10.535 -1.617 -8.354 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 -9.691 -1.671 -1.469 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 3.835 -7.998 -4.115 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 26.479 2.098 -0.962 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 9.306 14.232 0.468 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 -2.469 3.457 1.129 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 -14.143 9.604 2.331 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 -10.266 16.058 -4.948 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -8.937 -0.647 -3.143 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 2.832 17.654 -2.011 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 -13.192 -13.579 1.666 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 8.341 0.562 2.673 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 12.073 7.486 2.012 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -12.510 -27.728 -5.132 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 1.380 -2.143 0.285 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 7.430 11.287 -0.107 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 -12.703 -32.023 -17.641 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 1.749 -4.161 2.897 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 1.946 -7.340 14.863 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 5.249 -10.246 -1.943 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -7.386 -0.513 8.811 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -2.518 -2.831 10.183 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 17.788 4.427 -1.490 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 1.825 -3.142 -3.139 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 -5.317 -9.086 1.682 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 -1.960 -13.338 17.536 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -2.576 2.558 2.856 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -2.461 1.483 13.196 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -10.070 10.200 2.817 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 -0.598 -4.023 -8.358 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 23.595 -12.841 -12.945 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 -20.860 -25.878 -7.426 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -4.899 -5.439 5.660 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 9.319 26.796 -13.312 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 11.959 -7.627 29.319 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 1.258 2.916 5.471 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 0.940 1.431 8.211 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 10.616 3.737 7.484 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 -7.970 4.163 8.860 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -14.698 3.803 4.779 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -33.244 22.108 -0.653 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -1.588 -1.239 3.848 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 -1.166 -2.816 4.525 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 4.685 7.695 15.852 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -6.908 -2.085 -1.443 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 -11.998 3.248 -15.085 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 5.905 -7.904 2.781 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 2.155 4.839 1.269 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 7.716 7.937 -2.448 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 -7.789 5.770 1.071 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -1.632 -2.743 1.830 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 10.983 -11.219 -18.603 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 18.995 7.912 16.104 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -6.775 -3.057 1.476 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -15.311 3.817 -24.318 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 18.310 7.990 9.400 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -4.416 -4.142 1.783 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 3.878 -7.377 11.796 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -19.248 2.479 2.240 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 4.388 3.681 -4.315 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 0.973 0.527 -13.011 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 16.110 -3.804 -12.787 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 0.361 4.256 9.136 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -8.567 -14.417 32.800 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 2.344 9.300 2.359 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 -3.446 -5.149 0.457 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -5.592 -13.461 -7.869 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 -8.628 11.396 3.687 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 1.931 3.572 1.647 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 10.356 19.011 -9.240 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 -0.676 18.993 8.767 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -1.071 6.917 -2.478 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 15.179 11.629 6.160 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 -27.986 -8.399 5.535 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 -1.349 0.876 -3.414 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 6.543 0.697 -0.003 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 -6.899 3.080 0.804 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 -0.072 0.868 -7.376 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 1.192 -1.561 -8.097 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 -8.352 5.588 -8.038 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 3.263 4.615 -1.533 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 15.611 7.948 -22.552 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 21.649 19.504 24.673 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 -5.178 -0.109 4.878 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 2.611 10.752 -23.742 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -35.231 -2.246 -25.033 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 1.427 0.165 4.682 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 1.127 -4.056 -4.661 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -1.857 6.923 -4.044 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 1.474 -0.440 5.497 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 -2.794 -10.506 22.565 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 3.763 -0.343 -12.375 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 2.882 -0.597 -7.575 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -3.339 -1.375 -9.250 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -2.827 5.479 -14.813 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -4.377 -0.280 -7.037 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -2.619 7.419 2.383 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -8.527 6.455 -8.801 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 -0.008 -0.642 -7.869 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 6.919 -14.220 9.747 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 16.336 11.291 6.093 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -2.862 1.925 1.572 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -8.160 5.359 -6.108 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 8.952 -5.387 16.725 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 0.704 -6.930 2.037 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 -2.099 -33.483 16.354 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 -17.487 13.885 24.444 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 4.277 -5.047 -3.223 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 26.683 -5.632 29.514 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 0.534 -0.875 -16.565 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 2.818 3.103 -0.912 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 2.998 6.310 6.553 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -0.761 11.792 -9.402 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -4.685 2.472 -3.470 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -2.137 2.555 2.045 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -11.502 6.236 15.438 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 5.297 -4.659 -0.090 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 17.491 -0.634 -17.862 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 -18.528 -9.148 -4.345 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 1.533 -4.011 2.432 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 6.229 -11.559 -6.087 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 -6.593 -12.095 -1.208 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 1.207 -4.841 3.969 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 -4.207 -15.255 12.216 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 7.194 -1.888 -6.346 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 5.835 5.733 -8.812 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 28.549 2.574 -8.685 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 -2.544 -13.320 15.873 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 -0.374 -0.935 -3.905 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 -0.648 -7.283 -5.948 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 -0.031 3.554 -3.514 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 -7.055 -2.383 0.627 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -28.053 -26.116 -1.363 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 -39.612 -11.235 -12.216 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 0.408 2.649 -0.085 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 -15.447 7.118 1.791 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 -8.876 6.808 1.720 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -4.230 0.552 1.340 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 27.214 -43.968 -10.287 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 9.078 -9.174 17.967 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 7.645 2.932 1.340 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 7.401 -7.589 -2.109 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 14.246 -1.827 16.175 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -3.576 0.270 2.482 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -15.447 1.323 21.961 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 -9.227 -2.370 14.419 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -2.328 -4.431 -4.160 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 -12.160 -9.762 -3.563 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 30.154 10.132 -7.987 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -2.749 2.367 2.200 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 7.730 12.963 4.665 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 26.762 43.416 7.560 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -5.320 -0.627 4.763 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 -13.252 -0.807 7.144 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 4.249 -1.637 5.775 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -2.521 -1.503 5.265 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -3.134 0.959 18.030 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 8.200 4.208 -1.274 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -5.496 -7.085 -7.004 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 2.802 2.309 -0.741 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 10.233 -1.724 0.178 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -0.441 -2.298 -8.575 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 -7.005 35.148 4.299 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 0.923 2.565 -6.463 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 -9.141 -1.277 -1.483 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -0.490 -29.547 11.501 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -11.518 -15.193 5.874 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 0.522 5.410 1.170 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 3.360 -1.805 -4.402 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 -16.841 19.825 14.986 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -2.090 -2.236 3.340 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -3.632 2.226 3.362 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 -2.106 -7.894 1.324 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -9.684 1.026 -6.447 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -2.367 0.125 -10.465 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 -12.477 -10.222 -11.664 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 10.816 -5.975 4.600 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 13.341 2.111 6.712 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 4.083 15.107 -3.582 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -3.499 0.929 4.984 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 -21.092 -10.987 18.683 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 6.236 8.411 1.306 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 -8.887 3.079 -3.211 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 5.563 -10.783 15.691 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 0.812 -4.405 1.125 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 -0.259 3.637 -1.055 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -3.851 -25.298 0.383 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 -4.932 -20.088 5.325 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 7.242 1.046 -3.236 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 -2.830 6.787 -5.087 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 13.601 4.190 -0.965 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 7.347 7.383 -1.026 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -8.588 11.097 0.891 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 4.294 8.570 -5.392 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 -6.091 -1.593 4.019 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -5.483 -24.457 4.175 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 -14.652 -14.396 2.679 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 6.652 -6.335 1.612 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 2.155 -14.200 -2.129 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -3.422 -12.680 10.475 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 -2.426 5.233 3.112 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 9.408 34.895 -4.933 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 3.006 19.370 -0.358 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 -0.226 4.702 0.562 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -31.188 -8.491 26.167 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -2.669 -2.277 -3.419 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 -1.629 -0.526 0.522 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 3.225 7.191 7.448 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 -8.429 4.588 -3.736 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 3.918 6.825 4.061 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 8.940 -29.980 8.476 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -12.285 -0.970 -7.044 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 2.684 7.435 -6.548 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -7.951 18.560 -13.789 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 -26.495 -4.565 -7.256 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 -3.906 -0.696 -2.133 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -11.143 15.666 -0.350 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 2.107 4.380 -11.421 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 1.190 10.494 -7.707 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 0.562 23.224 4.006 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -6.526 21.985 10.352 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -4.399 -4.805 2.384 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 0.295 -1.428 22.116 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 -25.471 -8.371 4.534 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 -2.607 7.198 1.585 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 5.537 0.412 10.115 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 4.311 15.732 -10.691 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -1.754 -0.780 5.780 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 6.764 1.517 16.307 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 8.045 4.609 20.297 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 -4.876 -1.487 3.199 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 -4.263 17.993 11.755 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 9.043 -17.539 0.582 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -0.962 3.867 -0.129 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 7.371 11.985 8.209 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 12.849 -5.519 2.716 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -0.044 4.619 0.368 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 3.297 15.327 7.883 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 0.890 10.518 5.083 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 -3.063 -8.525 0.548 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 -1.233 -17.171 -15.858 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 18.334 2.603 -3.653 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 0.302 -0.781 -1.705 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -16.055 5.800 -3.507 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -1.090 1.395 -3.492 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -9.952 6.257 1.126 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 -2.864 14.238 17.482 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 13.437 -0.416 8.734 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 -3.937 1.423 3.860 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 4.465 -8.688 11.695 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -3.318 -0.202 -24.514 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 -3.074 -12.579 6.476 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 -15.455 -7.711 -9.137 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 -8.973 -12.329 8.993 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 -6.882 -9.389 3.304 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 -5.715 -11.948 -2.826 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -7.275 -5.161 2.758 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 3.820 -5.646 1.271 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 2.114 0.865 -21.956 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -9.789 -22.880 6.818 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -7.254 3.926 -0.048 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -17.810 0.453 23.483 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 20.469 1.830 -11.045 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -2.428 -2.286 -1.910 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 0.100 -0.879 -3.248 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -14.159 3.865 15.284 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 -1.061 0.147 -4.811 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 -14.769 7.208 11.914 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 -34.143 -24.614 -20.204 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -2.314 2.431 4.625 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 13.856 19.014 11.142 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -1.441 6.029 5.421 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 2.282 -0.203 0.689 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -16.470 4.621 -13.639 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 13.214 -10.170 15.718 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 -5.155 2.484 -2.402 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 -14.961 4.847 1.161 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 2.157 1.658 -9.442 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -6.771 -1.690 7.878 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -22.018 -2.327 -2.599 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -3.650 -2.392 9.597 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 3.193 -0.631 2.519 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 19.284 -4.368 23.883 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 -6.408 9.282 -9.836 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 6.013 -2.190 -3.608 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 -0.155 7.568 2.891 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 4.968 -0.814 0.175 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 9.878 -1.346 3.028 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 9.922 -2.093 8.194 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 18.168 -9.488 11.772 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 1.343 2.068 -4.683 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 18.445 -3.790 2.119 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 -4.585 -5.071 8.410 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 1.614 1.434 3.780 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -7.678 3.537 -1.319 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -0.121 -8.491 5.181 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -2.882 -2.991 -0.887 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -8.695 -9.162 -10.904 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 0.265 9.121 -5.266 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 2.612 -0.995 5.656 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -13.104 0.597 -6.296 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 10.323 11.498 -3.847 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -3.455 -1.036 -2.134 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -3.105 3.976 -13.114 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 0.353 -7.171 -5.603 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 5.879 0.566 6.301 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 22.863 35.349 1.657 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 4.226 -9.781 -17.950 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -2.444 5.820 2.984 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 -2.851 -21.872 -21.669 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -1.759 -4.062 -6.984 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 3.587 1.671 3.675 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 15.602 5.484 4.622 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -10.042 -20.079 2.955 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 0.489 1.281 -5.325 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 26.240 -5.946 12.995 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 3.125 6.389 6.058 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -5.584 0.175 -0.740 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -28.046 -35.384 11.640 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 12.863 9.253 -5.646 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -4.565 2.401 0.886 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 18.079 10.054 -0.204 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -18.326 -16.578 -8.918 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 5.483 8.786 -2.367 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 13.892 -0.186 -23.543 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 27.388 23.133 -2.018 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -3.045 -4.424 0.455 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -6.137 15.046 4.652 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -21.581 -12.572 -0.795 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 1.891 -1.596 -2.791 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -5.114 -4.188 -5.252 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 38.253 -10.660 22.416 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 4.191 -1.536 8.517 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 10.500 13.085 8.256 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 -1.374 -5.801 4.849 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -5.163 -2.187 -2.441 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -13.910 2.441 8.521 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 -10.879 1.008 4.901 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -0.257 -0.092 1.122 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 12.759 -20.804 -10.624 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -2.596 2.378 2.076 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 4.704 -4.772 1.090 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -3.450 -15.877 -11.678 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 30.368 9.623 12.964 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 -4.926 1.362 -5.731 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 6.684 -17.737 -6.600 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 -5.416 -9.100 -6.246 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 0.543 0.359 0.033 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 17.526 21.494 -17.174 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 12.616 20.164 -10.752 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 8.018 5.146 5.702 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -35.621 0.550 5.881 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 27.898 8.228 2.709 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 -0.397 4.448 0.062 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 1.424 10.636 -19.644 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 -8.030 11.899 -8.876 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 -0.386 0.266 3.021 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 6.110 1.807 5.352 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 -19.134 -2.528 7.505 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -1.828 -3.641 -3.581 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -3.142 -4.402 -7.686 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 9.909 22.695 9.407 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -3.220 1.307 0.069 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 26.041 -22.555 1.277 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 -3.269 -7.746 -4.826 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -0.392 4.386 8.450 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 -27.012 -8.001 0.330 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 4.971 6.214 10.391 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -0.711 3.067 0.676 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 4.991 -17.691 -6.898 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 -16.238 10.520 -13.951 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 3.232 -7.422 9.083 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -3.047 -2.872 -7.748 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 14.067 3.357 4.181 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 0.934 1.676 -1.767 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 5.264 5.529 -7.582 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 2.578 3.970 -8.963 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 -2.427 -3.178 1.187 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 -13.350 5.894 11.311 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 -12.467 6.372 -4.315 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 -1.480 -3.017 10.340 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -4.031 12.625 -2.835 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 19.338 -6.005 0.128 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -2.693 5.128 -0.273 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -10.299 2.986 -6.751 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 -7.179 -4.720 9.118 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 -4.751 -8.872 4.178 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 -21.758 -20.837 2.784 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 15.063 -11.939 10.994 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 -0.099 -3.312 4.842 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 -0.596 -7.344 9.017 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 3.903 1.726 5.717 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -0.711 3.264 2.026 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 -24.349 -3.742 7.142 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 10.621 16.571 0.199 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 0.985 -2.024 0.773 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 9.391 4.914 -6.131 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -1.777 -8.630 0.655 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 -5.568 -6.892 4.124 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 12.794 25.314 14.638 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 -10.137 -13.462 -7.309 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 0.233 -4.612 4.901 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 17.468 22.579 15.993 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 4.593 -14.375 -1.968 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 1.842 2.850 7.429 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 -0.782 5.708 -22.133 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 -18.852 -1.303 -13.330 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 -0.197 3.671 -4.780 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 -11.708 6.392 -0.841 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -9.580 6.533 -1.790 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 -4.233 -3.835 -1.351 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -2.534 -3.450 -1.933 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 -1.400 3.511 -10.757 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 7.014 1.209 5.603 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 6.707 0.779 5.777 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 2.301 5.004 8.936 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 0.227 -1.236 -8.476 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 4.443 -10.044 -8.936 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -4.948 -2.609 -1.565 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 1.495 4.218 0.799 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -8.847 11.952 -1.939 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 1.640 -2.752 -4.069 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 2.328 -1.537 0.006 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 0.623 8.264 24.861 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -2.190 5.884 19.166 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 6.828 -2.235 -3.309 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 2.260 -5.911 -7.073 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 25.778 15.754 14.616 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 -3.263 -2.458 11.257 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 14.768 -27.771 -8.108 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 -8.752 45.948 17.875 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 -3.852 -0.716 3.474 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -8.656 0.333 0.091 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 11.865 -24.026 20.847 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 -4.378 6.827 -2.231 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 -6.268 -8.174 1.919 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -10.269 28.466 -1.466 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 1.289 -2.643 2.362 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -14.395 7.235 0.490 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 26.976 -7.758 -0.924 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -5.481 -4.887 1.569 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -5.476 -4.927 20.676 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -11.645 -3.099 1.891 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 3.818 -7.173 -0.804 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 8.768 3.030 -6.736 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 3.771 -4.309 -2.800 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 4.441 -5.887 -3.690 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -6.771 -20.553 -17.799 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -7.802 3.219 -1.516 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -3.480 -1.223 2.596 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 1.751 -1.036 11.396 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 -11.366 -3.887 4.139 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -3.786 0.993 2.487 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 -14.623 17.586 4.177 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 0.815 -5.824 2.430 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 2.218 5.054 -0.045 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -26.968 2.984 -2.200 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 0.107 24.062 16.820 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -1.645 -2.457 -8.067 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 18.961 -13.209 -2.335 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 7.697 -13.651 -8.722 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 2.647 0.568 -3.209 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 4.467 -14.619 -14.043 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 -1.916 8.708 -12.729 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -2.922 1.213 -1.582 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 -7.839 -3.377 -1.505 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 -15.033 9.122 -2.690 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 1.501 -3.140 3.381 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 1.501 -13.336 -3.647 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -5.957 -3.542 -12.792 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 2.870 3.422 2.364 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 -9.202 6.091 4.431 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 22.236 3.457 -8.280 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 -7.706 2.958 6.023 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 -8.559 2.049 6.361 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -10.487 2.066 4.678 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 3.384 1.758 -8.500 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 1.824 1.709 -16.018 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 9.795 -3.456 -9.107 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 -0.701 2.113 -1.604 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -2.426 7.292 13.680 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 -3.868 -1.364 -3.637 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -0.364 -0.660 4.031 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 0.386 -2.845 16.333 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -1.021 0.014 4.516 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 4.561 8.378 2.060 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 2.688 7.699 10.364 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 16.991 2.401 1.786 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 0.920 2.441 5.630 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 0.493 7.311 -2.109 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 4.008 12.752 -8.462 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 4.154 2.897 1.120 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 24.326 -20.311 17.519 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 18.238 11.821 -26.289 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -0.288 -2.822 -4.478 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 8.385 0.008 8.700 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -7.760 9.977 -10.129 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -7.142 -2.489 4.093 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -7.262 1.728 5.710 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 28.930 -2.531 -0.604 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 -1.358 9.224 -0.074 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 5.206 23.331 15.237 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 1.980 -29.927 0.099 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 1.650 1.843 0.431 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -13.040 14.332 6.454 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 17.323 9.886 3.931 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 0.584 -4.301 5.414 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 6.090 -10.805 -7.771 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 5.675 -6.620 -1.614 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -0.205 -5.235 0.556 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 0.852 -17.840 2.910 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -6.766 -4.549 3.146 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -2.537 -0.296 -3.281 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 -15.936 3.754 2.896 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 -10.267 -13.400 8.782 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 6.011 -0.054 4.467 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 22.779 -8.279 26.961 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 7.131 15.107 0.332 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 2.317 2.263 5.070 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 4.529 -7.270 7.234 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -6.833 3.454 -5.825 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -0.860 -0.659 -2.793 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -2.463 6.100 -29.096 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 23.420 -17.280 -5.976 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 0.889 5.429 4.473 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -2.772 -8.321 13.429 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 4.915 -1.064 -12.188 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 0.656 1.663 6.174 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -2.611 -3.947 0.588 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 33.817 11.482 -9.914 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -2.001 -2.996 -1.322 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 14.920 -18.538 4.578 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 -8.604 8.735 -0.480 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 1.885 -9.279 0.797 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 8.022 -14.513 18.006 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -2.474 -6.445 -5.875 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 6.019 0.384 3.985 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 16.083 -25.283 18.692 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -14.588 -16.569 -14.380 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -4.022 -0.893 2.427 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 2.080 -7.839 17.906 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 14.838 -2.664 12.917 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 2.113 1.538 4.174 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 5.204 4.313 -13.766 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 5.898 6.392 -8.567 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -2.499 6.079 -2.130 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -5.541 -12.118 28.748 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 32.522 16.283 -3.136 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 1.336 0.046 0.050 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 6.943 -5.130 -7.908 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -14.146 -3.926 -16.713 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 4.238 3.614 5.816 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 1.188 11.954 15.694 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -3.903 8.260 23.789 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -1.537 -1.269 -1.998 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -0.944 -0.335 -2.070 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 20.595 -2.485 4.197 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 2.607 2.447 4.198 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -7.869 1.263 11.940 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 -17.670 0.346 17.365 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 5.598 6.962 2.361 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 25.106 9.159 4.399 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -0.915 -2.540 3.308 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 1.284 9.977 0.789 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 -6.220 9.821 11.734 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -7.491 3.562 5.063 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 -3.333 -0.081 0.431 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 6.232 14.411 16.099 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 -3.631 16.787 -9.165 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 0.876 -8.388 -2.289 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 -7.479 -12.958 12.196 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 -4.617 7.963 -6.328 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 2.681 5.472 -0.699 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -16.111 16.301 -3.127 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 -2.817 7.369 18.105 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 -1.000 -2.449 -1.169 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 -0.529 -8.533 -5.407 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 18.511 -10.449 5.588 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 5.605 3.545 -3.067 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 -11.487 -22.801 15.133 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 -3.630 20.808 -11.056 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 -4.363 3.387 -0.476 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 7.978 5.017 -1.883 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -7.399 16.364 -2.414 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 5.165 -1.373 -5.747 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -16.125 1.798 27.024 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 -15.472 -29.965 -26.422 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 -5.636 2.778 -4.693 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 8.516 5.301 17.062 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 8.980 -8.198 8.049 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 1.061 -4.186 8.827 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -8.769 -2.604 2.897 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 9.933 0.155 2.811 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 2.722 -10.126 2.430 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 4.303 -6.492 -9.527 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 6.671 -0.518 17.010 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 0.395 2.600 1.820 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 4.336 6.436 31.093 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 -15.099 7.326 -14.498 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 -9.037 2.389 -0.826 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 18.211 10.299 -7.293 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 -3.906 -6.148 -12.584 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 4.780 4.792 1.519 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 -10.749 -16.130 -4.345 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 2.764 4.972 -2.920 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -0.791 4.906 2.935 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 -3.592 27.862 8.357 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 8.019 -0.023 -16.039 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 -11.957 -8.991 -5.482 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 2.153 -7.567 -0.470 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -12.071 -8.072 -11.611 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 -0.202 5.251 1.792 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 15.081 -3.059 -5.984 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 1.821 13.437 17.429 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 -5.364 0.826 -6.726 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 -2.403 6.524 -11.915 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 -10.593 -11.096 14.481 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 -0.923 -3.684 5.685 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 23.844 3.704 -6.146 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 0.770 4.639 -13.764 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 -0.952 4.188 6.279 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 -8.759 12.104 7.131 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 17.944 -18.222 -3.654 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 -0.061 -1.018 -10.327 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 1.229 17.005 -2.732 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 8.673 -18.289 1.784 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -3.331 -2.441 -1.706 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 -1.225 10.879 -7.055 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 5.032 21.723 2.838 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 -0.059 -2.392 -2.488 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 -7.695 23.234 -10.484 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 -4.058 -2.839 6.361 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 -0.399 0.268 -3.499 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 2.911 -7.312 3.782 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -3.678 4.509 -14.229 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 -4.560 -4.749 -1.851 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 6.988 -14.873 -15.414 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 -10.065 1.861 5.510 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -1.172 -3.929 -4.383 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -0.686 -2.612 -1.427 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 16.004 -10.368 -10.725 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 -7.789 -2.421 0.407 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 8.904 8.288 -3.855 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 -11.119 8.093 17.281 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 3.828 7.001 -9.066 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 1.944 -1.272 -19.886 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 -7.066 20.626 16.743 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 2.804 -11.276 -4.959 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 -1.012 -17.977 -0.723 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 0.652 -11.137 7.955 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -0.060 -1.644 0.425 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -3.836 -5.403 -6.104 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 3.256 -6.058 -2.018 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 2.504 4.235 1.566 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 7.041 8.200 -6.574 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -6.880 11.635 6.151 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 1.576 -1.749 4.490 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 4.572 -4.977 4.391 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 3.708 15.541 9.518 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 -2.257 0.173 -2.523 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 9.988 3.374 -14.850 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 -2.362 -0.350 21.386 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 2.471 4.443 3.395 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 20.844 -17.047 10.730 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 -3.149 -3.120 -0.801 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 -3.499 -2.450 1.149 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 -1.336 4.442 9.602 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -40.474 -10.818 10.191 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 2.615 -6.041 2.929 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -10.042 -19.332 9.650 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 -5.402 11.719 9.291 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 3.315 1.229 2.826 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 -4.072 -9.679 2.999 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -3.987 19.984 3.253 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 -7.403 -2.351 -2.401 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 -8.261 -2.999 -1.602 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 -8.178 -1.395 -6.036 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 2.828 9.616 1.088 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 5.714 -5.689 12.973 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 -1.015 9.107 12.406 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 0.921 -0.288 -3.649 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 5.843 -3.442 -1.887 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -5.757 6.496 15.697 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 4.939 4.755 -1.534 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 -22.876 -18.728 5.211 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -0.809 38.433 20.334 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 2.485 -0.364 -2.004 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 -4.876 -12.250 -11.900 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -6.366 -11.260 -7.772 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -4.461 4.891 -1.111 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 -26.705 7.186 -6.510 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 -1.470 -7.205 10.189 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 -0.847 2.296 4.634 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 -10.187 1.951 2.735 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 12.248 4.465 13.432 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 5.059 6.667 5.781 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 3.888 -1.585 9.615 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 18.740 -8.771 -6.762 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 4.424 -2.758 0.276 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 -0.864 -6.278 4.341 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 0.293 4.737 4.031 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -4.699 -1.313 11.321 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -35.269 4.100 26.792 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 16.873 -4.946 -0.592 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 0.032 -2.776 1.289 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 5.551 8.679 -5.478 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -0.866 17.014 -5.834 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 -2.715 -2.087 0.567 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 -23.819 -6.156 16.405 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 8.341 -1.398 -10.456 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -5.637 5.853 8.387 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 -17.514 -8.079 8.570 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 6.675 -20.516 2.474 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -6.754 5.821 0.167 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 1.062 -5.085 -1.423 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 25.087 27.841 -19.448 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -1.835 -3.182 0.070 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 -13.232 -4.854 -2.464 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 3.321 6.885 15.353 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 6.128 -1.956 9.611 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 -0.339 -4.822 -1.519 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 -0.282 6.642 12.509 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 2.539 -3.388 -4.089 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 -10.120 -2.187 -19.560 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 10.062 -6.886 15.603 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 1.036 -0.286 -5.506 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 1.357 18.799 0.367 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 10.411 6.202 -6.900 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 0.087 -1.127 0.009 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 8.796 16.562 -12.190 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 4.931 8.700 -6.821 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 1.976 -3.580 3.097 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 16.291 -8.183 -8.022 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -3.532 10.367 -11.707 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 -3.294 -2.459 -0.997 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 -0.165 -3.427 -3.292 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 -2.279 -13.897 -0.365 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -2.001 2.152 -2.198 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 20.922 -11.207 1.774 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -1.449 -12.004 -3.023 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 2.521 -3.041 -3.731 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -0.477 9.815 -13.194 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 -5.167 26.853 -23.501 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 -1.230 1.993 0.040 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 0.551 1.511 -7.123 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 0.313 1.596 -6.148 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -0.974 -2.414 -3.455 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 0.752 12.213 -12.985 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -19.292 -9.071 -1.856 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 3.595 1.929 -2.285 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 21.379 5.722 -17.211 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 -23.853 5.727 -3.877 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 10.484 6.117 6.428 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 0.367 8.901 12.999 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 28.338 16.294 3.683 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 3.451 -7.817 -1.323 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 3.081 -8.896 -1.806 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 8.053 -0.970 2.924 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 5.098 -1.951 -0.381 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 1.212 5.006 9.958 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -5.053 5.963 9.668 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 0.173 3.149 0.553 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -9.922 3.247 1.278 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 11.977 -2.790 -10.491 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 4.646 -2.679 2.715 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 14.035 -6.747 -10.398 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -11.714 -4.950 -3.867 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 8.109 1.017 -0.881 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 11.153 10.840 -3.715 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 3.409 -13.176 8.584 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -2.451 -1.283 -3.630 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -40.180 19.753 0.169 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 6.822 -21.670 -6.116 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 -1.877 0.006 -0.568 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 1.282 -1.076 -5.042 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 -5.107 10.756 5.657 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 3.186 2.136 -0.255 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 11.104 -0.923 5.686 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 5.925 11.648 -4.107 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 -3.943 -11.254 -5.000 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -5.844 -5.572 -10.132 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 30.547 -13.488 -9.754 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 4.647 -3.123 5.790 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 12.457 -38.151 -2.541 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 1.706 -26.594 10.759 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 4.856 -4.050 -2.364 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -4.098 -1.367 12.715 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 13.960 -6.678 -16.402 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 0.449 -2.950 1.055 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 11.327 -0.119 -13.516 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 17.236 -13.658 -0.093 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 1.215 -1.635 3.002 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -9.711 9.863 1.745 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 -5.480 -14.316 -7.447 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 2.471 4.806 2.076 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -5.285 -1.346 -7.020 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 16.215 -10.453 15.240 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 0.015 -2.163 -0.122 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -8.513 4.744 -14.083 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 0.116 10.029 3.339 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 -6.354 0.012 3.815 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -14.133 7.115 -0.651 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -13.352 5.760 -10.195 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 1.119 -0.132 4.945 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 5.132 2.772 -1.445 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 -29.649 11.383 18.267 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 7.226 2.251 1.747 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 -3.381 -17.797 2.468 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 -6.551 19.176 2.429 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -6.960 -7.150 6.164 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 4.201 -16.568 -2.091 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -1.830 0.056 18.908 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 -0.272 3.316 -0.101 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 -28.857 12.622 22.526 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 1.952 -4.776 -12.462 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -5.218 0.819 2.701 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -10.143 17.065 -12.143 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 5.030 -18.441 -16.125 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 7.360 6.811 -3.016 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 5.892 0.589 -1.368 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -10.505 3.901 6.936 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 2.895 -3.674 1.287 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 16.459 15.556 -11.903 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -2.671 -19.159 21.055 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -0.022 2.504 -3.093 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -0.496 3.379 -8.471 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 4.818 5.677 -1.730 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -1.362 1.570 -1.380 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 -1.083 -21.874 -14.813 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 18.634 15.722 2.608 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 1.176 -1.263 2.200 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 19.144 2.177 -18.714 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 15.105 -17.412 18.368 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 -0.115 -6.312 5.242 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 -10.654 24.919 3.488 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 3.643 13.343 -1.713 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 -6.800 -5.221 0.556 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 -6.963 -1.322 -12.233 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 -6.944 -0.157 -13.895 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 -3.681 -2.415 1.364 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 -13.302 -11.660 10.896 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 -3.594 -8.878 0.282 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 0.465 5.541 -0.067 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 12.843 -6.789 -5.067 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -11.589 9.553 -6.399 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 4.424 -1.024 -0.301 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 11.915 -2.150 3.281 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -3.136 -1.469 -2.970 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -2.590 -0.194 -2.811 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -9.637 -7.736 -14.796 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 5.601 7.184 11.119 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 1.145 0.673 -2.530 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 2.739 4.473 17.786 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 5.692 0.940 -17.078 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -0.307 0.712 -0.074 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 -1.828 7.437 -17.468 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 17.829 5.552 6.062 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 -0.094 -1.344 -2.215 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -4.061 0.709 14.954 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 23.108 -8.246 0.910 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 0.926 -3.982 6.410 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 16.915 4.976 -13.492 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -25.470 8.573 0.962 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 4.236 -3.237 7.749 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 13.178 -5.818 4.394 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 -2.175 5.051 -27.094 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 3.416 0.462 0.018 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 6.695 7.406 4.892 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 7.443 7.683 3.140 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 1.696 1.877 -4.611 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -1.137 -11.691 7.787 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -12.630 22.823 13.837 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 0.537 -3.392 -6.452 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 -4.582 3.719 -3.000 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 0.459 -4.300 -8.697 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -4.099 -0.681 -0.332 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -5.085 21.809 5.562 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 12.830 0.902 -6.343 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 1.570 2.062 7.936 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 7.149 -7.127 10.723 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 -8.732 14.862 -14.311 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 6.435 2.578 4.128 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -6.286 6.691 -0.252 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 8.750 13.609 -14.851 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 3.122 9.192 2.561 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 3.919 30.963 -11.875 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 15.432 -0.864 18.503 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 -0.636 -0.348 5.094 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -20.309 -9.321 -1.797 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 -17.447 -7.514 -5.634 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 0.226 -5.610 6.736 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 -7.429 4.766 -7.670 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 5.451 -13.035 -2.046 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 -0.248 5.002 -2.217 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 2.114 7.045 -4.427 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -2.121 1.504 0.127 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 -2.597 4.397 0.755 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 34.088 -14.788 5.883 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 0.663 3.589 -0.994 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 -8.902 7.531 9.086 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 -8.824 13.814 -0.419 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -2.366 -3.920 -7.458 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -0.001 0.687 -4.424 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 -4.227 5.270 11.678 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 6.418 -14.416 -0.382 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 -1.649 -4.508 2.208 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 8.297 -21.872 -6.680 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 3.203 12.227 -7.373 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 -0.064 1.139 2.265 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 -0.661 3.273 0.953 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 0.405 -1.730 -0.385 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -4.480 -5.795 -1.645 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -7.207 3.336 -8.824 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -11.592 -8.732 -0.833 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 0.222 -1.939 1.025 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -0.883 -15.366 -18.883 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 -0.425 -5.735 -3.326 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 -2.032 -1.603 5.509 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -4.398 -4.567 -0.046 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -2.601 -7.851 7.647 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 1.403 0.281 -10.124 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 7.342 -9.965 -5.463 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 -9.951 -4.050 -10.273 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 -7.475 -0.855 2.914 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 2.452 28.659 19.191 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -8.545 11.631 21.817 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -3.738 -4.904 4.017 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 5.805 -0.986 12.496 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 -15.973 -9.230 -4.537 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 1.746 -0.952 5.638 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 2.552 17.587 -24.972 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 -20.628 13.252 -8.831 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 2.862 -10.025 -6.146 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -25.086 -22.421 -14.909 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 5.759 -0.525 -10.381 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 0.156 -0.312 -8.679 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 -8.789 -2.841 3.705 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 3.706 4.023 -13.543 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 4.603 0.946 -3.032 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 2.957 19.041 -12.475 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 2.461 24.992 0.136 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -2.041 1.907 -2.735 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -9.875 7.689 -0.993 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 5.312 5.184 -2.400 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 0.154 5.039 2.775 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -16.130 -5.932 5.988 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 40.239 -14.175 -11.402 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 6.151 -2.656 -2.371 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 -15.402 -27.306 -1.631 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 9.018 0.905 -2.171 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 -6.158 1.523 -3.962 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 -10.033 7.603 11.158 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 5.569 -12.281 3.441 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 7.810 1.638 1.926 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 3.350 -12.367 13.885 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 8.010 -1.287 -4.887 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 0.580 -1.814 -2.391 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 -0.221 9.508 2.515 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 -2.725 11.364 30.365 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 5.738 1.649 0.311 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 9.398 11.460 -1.992 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 19.822 -0.184 -12.982 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -0.828 -2.292 -2.302 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -13.839 -13.864 -22.475 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 25.926 7.748 -6.114 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 1.770 0.107 -6.691 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 -0.248 1.379 2.417 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 -2.233 -12.058 -1.563 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 6.835 -0.867 -1.757 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 14.088 -2.256 2.943 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 8.482 -2.632 -11.280 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 1.250 -0.511 0.628 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 -10.288 -2.038 -11.465 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -7.510 12.134 11.365 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 4.737 -6.779 -2.486 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 7.154 -5.764 -9.544 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 2.768 -7.698 -6.069 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 -3.333 -2.516 -0.619 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 0.275 0.584 -5.059 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 -7.202 26.190 -8.399 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 -1.868 -4.351 -6.262 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 -9.701 -10.715 6.703 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 -2.839 -4.771 3.772 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 0.098 -0.389 0.948 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 4.969 1.933 9.196 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -10.623 -5.729 -16.485 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -0.475 2.317 -4.943 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 -1.036 -4.107 -10.768 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 4.004 -12.238 -1.835 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 -0.722 -7.570 -1.425 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 6.478 -21.369 -4.552 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 -3.119 -5.830 -4.971 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 1.155 0.532 -3.046 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 -0.989 -1.376 3.999 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 -3.518 -4.392 12.592 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -4.739 4.147 2.854 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 3.654 -11.053 8.185 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 7.307 -20.333 17.761 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 1.287 -2.659 -0.783 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 2.799 4.092 6.512 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -3.027 -20.386 4.433 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 -7.381 2.284 2.975 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 -11.264 14.371 1.774 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 -3.719 -0.621 1.454 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 -2.724 1.255 2.615 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 -1.011 5.143 -0.378 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -3.659 16.618 7.717 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 2.113 1.870 4.315 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 18.010 4.220 6.584 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 -19.819 -2.363 1.046 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 -0.741 0.342 -5.392 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -10.720 -29.370 -12.627 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -11.104 -32.147 0.319 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -2.594 -1.718 4.978 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 -10.677 -9.454 4.821 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 0.553 -0.763 14.185 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 4.774 0.535 4.988 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -18.073 4.442 -4.992 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 5.697 -2.342 -0.992 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -3.323 2.074 3.440 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 0.682 15.365 -8.772 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 -17.230 -6.325 15.593 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 -3.841 -1.827 -2.338 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -12.266 -4.862 2.436 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 -10.765 -1.001 -3.875 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 1.103 2.264 7.773 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 -9.246 -1.392 25.179 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 16.422 21.691 20.043 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 -6.271 2.057 -5.242 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 -11.760 -0.069 -15.509 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -16.792 0.880 1.432 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -2.847 -0.989 -2.359 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 12.162 1.864 -31.680 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 -11.761 5.386 22.607 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 3.462 -1.856 -5.075 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 5.297 -7.698 -7.114 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 22.452 1.374 -2.466 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 -3.466 3.093 -1.792 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -16.815 -10.823 9.575 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 3.508 -14.806 -17.737 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 10.080 -8.802 1.509 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 19.999 -8.619 -0.772 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 10.167 -6.640 0.906 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 4.710 0.283 -0.609 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 6.735 -9.553 -14.776 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 13.266 15.140 -3.220 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 -1.683 6.193 -4.475 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -14.199 -10.666 -2.203 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 -20.114 11.255 -2.059 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 -6.518 -0.063 -1.084 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 20.863 7.246 11.871 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 13.775 4.106 -8.874 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -2.854 0.331 0.312 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 -1.782 -4.176 -0.610 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 -2.515 -0.043 -3.291 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 2.513 1.523 -4.320 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 0.008 6.096 -7.532 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -3.875 11.919 1.172 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 3.018 5.774 -8.150 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 -12.346 9.523 4.619 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 10.352 2.455 -4.638 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 4.599 -2.001 -7.675 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -17.029 11.661 4.612 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 4.351 -3.186 -14.820 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 -3.688 0.581 -0.153 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 9.709 11.736 -0.147 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 5.126 12.314 4.371 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 2.469 -1.143 -3.960 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 22.112 10.686 4.616 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -11.278 2.687 -16.175 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 -0.445 1.150 8.222 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -9.702 -12.724 34.779 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 2.888 6.342 -4.714 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 2.345 -3.079 -2.308 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 9.052 -2.675 -1.108 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 0.453 -4.333 -3.560 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 1.906 0.036 -5.849 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 0.271 14.939 9.516 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 15.001 5.377 15.179 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 1.068 -4.536 -1.420 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 0.224 2.389 -0.818 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -6.461 34.088 5.588 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 0.138 1.299 0.972 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 18.839 7.336 -18.646 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -26.207 7.505 -9.704 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 -4.102 -4.826 4.589 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 -2.231 -7.015 -4.228 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 -5.827 -1.494 1.548 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 1.292 3.555 1.440 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 10.640 4.792 1.286 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 0.923 -0.002 -15.629 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 4.679 2.354 -4.363 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 7.124 -11.691 -3.627 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -1.681 -35.180 -7.830 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 1.894 0.799 -5.170 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -12.277 -6.927 -27.011 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 -10.087 -5.693 -23.526 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -2.877 0.450 3.613 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 0.420 -3.308 17.147 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -14.790 -11.351 5.145 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 -3.193 4.780 -6.808 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 6.222 22.098 -12.525 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -26.833 3.944 4.048 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 -5.094 2.648 7.438 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -3.292 -10.721 14.226 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 -23.879 0.127 -4.944 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 4.257 -0.354 2.460 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -6.775 -6.599 -12.026 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 -8.926 4.251 7.931 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 -1.439 -0.611 6.249 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 -5.897 -10.574 12.418 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 2.165 -8.291 -12.229 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 0.726 -0.534 -3.364 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 17.153 -1.649 9.256 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 -22.377 -8.960 -27.958 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -2.385 -2.738 -2.305 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 3.883 -2.806 4.669 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -7.552 -8.052 -10.320 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -0.445 -3.164 1.704 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 22.921 9.821 0.659 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 6.821 -17.110 -1.466 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -0.105 1.857 -1.148 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 -7.161 1.397 -8.816 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 7.630 9.487 -4.251 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 6.623 -1.272 -1.915 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 9.441 -23.194 -7.880 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 30.910 -13.181 -10.770 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -2.035 -0.479 -0.804 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 -8.151 8.119 -13.095 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 4.960 5.972 -7.302 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 1.365 -5.038 -0.203 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 4.309 15.702 0.136 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 0.717 -22.780 2.035 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 0.123 5.189 -9.866 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 -20.583 5.832 22.080 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 14.730 -5.788 7.201 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 5.951 0.340 -2.448 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 4.941 -7.057 1.807 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 12.721 -7.720 -2.058 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 0.843 -5.022 -1.252 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -10.531 2.685 -4.779 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 16.052 9.946 -10.342 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 1.220 -4.590 -2.975 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 -19.030 -1.206 -3.774 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -12.349 20.191 36.602 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 1.361 1.622 1.860 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -4.908 9.795 -0.152 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 0.643 9.841 6.414 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 0.292 -0.237 -0.070 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 11.874 8.738 3.202 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -1.987 -6.966 -3.591 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -0.353 -2.676 -3.325 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 -4.952 -3.996 -19.993 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 10.470 -9.163 18.035 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 -1.729 -2.647 0.099 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -8.012 4.727 5.672 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 3.109 3.580 -4.307 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 3.169 -6.129 1.999 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 18.320 3.470 8.244 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -0.784 13.352 14.943 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 -5.073 -7.821 7.157 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 -5.405 0.212 6.278 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 19.131 -30.731 0.920 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 3.902 -2.436 2.725 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 33.175 -23.809 2.087 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -7.676 -13.089 4.123 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 7.172 5.771 0.149 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 11.658 7.419 4.247 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 3.746 12.611 -3.470 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 4.402 3.360 -1.016 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 8.843 -11.473 3.753 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 2.792 -20.707 12.584 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 -0.058 1.119 0.076 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 5.390 -22.425 -2.690 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -0.200 -13.696 18.581 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 8.762 6.012 -7.451 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 14.191 -22.623 20.380 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 2.748 2.147 11.836 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 -0.201 -1.674 -1.663 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 22.947 -10.388 -1.891 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 3.749 22.136 5.070 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -3.919 -4.097 -4.143 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -4.744 2.727 2.440 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -12.767 5.075 -14.687 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 5.467 -4.202 -1.281 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 11.927 -1.823 2.460 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 0.078 -14.876 -2.877 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 -10.424 1.199 -2.044 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 7.260 5.296 18.825 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 6.124 -10.910 6.565 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -0.941 1.314 -4.729 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 3.800 21.571 -9.116 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 -3.424 14.457 -10.785 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 -0.124 -1.664 -2.300 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -14.562 19.091 -0.473 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 9.606 0.615 16.753 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 2.747 1.315 0.122 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 26.359 2.551 -4.051 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -0.167 0.693 1.362 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 4.993 -10.454 3.930 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 34.170 -3.991 34.993 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 10.317 -7.255 1.457 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 0.458 4.259 0.287 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 6.287 -10.472 -15.634 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 6.009 -11.707 11.770 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 0.293 -3.216 -0.820 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 -7.235 -10.975 -22.305 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 14.670 5.623 -9.550 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 3.438 1.302 -6.052 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 20.255 4.885 -10.309 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 10.837 0.027 22.584 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 -0.310 0.607 0.214 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 20.976 17.939 17.369 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 1.242 -3.272 -0.043 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 0.571 -2.578 2.245 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 1.643 -4.223 3.605 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -6.495 -1.835 4.535 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 0.691 -1.954 4.625 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -4.297 10.566 -12.318 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 5.609 3.073 15.988 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 6.986 0.343 -0.769 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 17.604 -11.570 -10.536 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 11.903 26.115 14.949 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 -1.428 6.085 -3.254 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -3.149 13.358 -8.650 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 1.747 8.017 4.883 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 -1.826 2.857 -2.181 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -9.971 -11.996 3.901 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 -3.836 1.043 -11.780 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -1.876 1.553 2.491 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -50.806 -14.366 5.133 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 25.541 11.543 -9.219 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 -2.667 2.292 -3.348 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 1.714 -18.765 10.197 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 -20.217 28.854 -11.688 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 -4.362 1.349 0.471 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 28.856 9.590 19.826 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 4.502 4.048 -7.711 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -3.450 -1.354 -3.483 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -14.124 15.909 -7.834 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -4.895 -10.104 19.946 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 3.810 5.472 5.713 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 26.211 15.059 -18.623 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -15.526 -7.023 5.227 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 1.938 1.726 -3.488 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 1.232 -3.732 -5.030 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 4.126 18.354 -0.726 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 -5.105 1.292 4.983 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 26.773 7.890 6.765 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 6.211 10.674 13.295 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 -4.323 0.645 9.430 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 -46.598 -24.636 26.113 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 6.192 9.588 4.426 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -1.711 -2.242 -5.214 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 0.138 -12.502 -19.583 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -6.153 10.955 10.709 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -2.415 3.246 0.297 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 -11.567 8.830 -6.199 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 10.091 8.946 2.275 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 2.249 -1.512 1.724 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 1.941 -0.729 11.574 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 -2.044 5.980 -1.390 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 1.091 1.128 -3.168 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 -1.971 4.173 -0.249 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 5.655 2.497 -3.537 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 5.513 3.001 0.091 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 5.224 -1.892 -3.669 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 18.754 -27.177 -9.441 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 1.077 -0.251 -4.235 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -34.633 22.434 -7.975 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 5.166 -3.312 4.708 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 2.543 3.649 -5.105 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 6.060 -17.287 -9.087 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 -11.761 -2.351 -11.516 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 -0.586 3.173 -5.689 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 -1.641 22.322 2.306 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 2.112 -14.867 -14.994 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 -8.215 0.210 -0.633 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 7.395 -6.868 -11.266 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 7.011 -5.881 -4.606 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 -0.681 1.099 -4.098 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 26.796 1.200 -4.658 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -1.846 -14.140 -8.794 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 0.134 -3.822 -7.188 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -0.140 -7.094 -1.195 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 4.268 0.317 0.420 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 3.559 -2.886 -3.184 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -2.312 -8.613 -10.455 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 12.960 -2.851 -6.684 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -0.026 1.629 -1.974 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -1.722 14.077 -7.095 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -0.598 3.983 3.493 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 -6.098 1.069 1.914 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 1.720 -19.224 -30.651 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -2.970 -5.411 -11.398 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 -2.357 -2.130 4.076 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 11.350 -2.708 32.810 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 14.371 -12.304 -18.129 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 2.518 -8.370 2.694 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 1.403 -9.894 1.741 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -5.731 -11.139 -0.474 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 1.467 -0.079 -3.935 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -5.993 -13.696 -5.156 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 7.779 -4.541 -12.848 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -0.471 5.255 -2.365 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 11.292 -7.460 -15.594 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 11.405 24.279 4.708 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -4.446 -2.164 2.441 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -11.823 -0.794 33.521 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -16.518 -25.542 -5.107 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 -2.000 2.732 0.935 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -21.498 2.634 2.330 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 25.796 0.996 7.694 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 1.136 -2.352 1.356 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 16.563 -23.165 -17.622 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 2.418 -7.988 -4.801 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 0.241 2.030 -0.436 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 0.707 3.790 4.709 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 1.933 11.135 24.712 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 -0.802 -2.557 -1.490 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 1.300 -2.129 -5.510 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 -6.104 2.555 4.723 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -5.962 -3.003 -4.387 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -12.659 25.680 13.712 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 -2.092 -21.463 -16.211 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 -9.466 -3.270 -3.409 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 -9.087 8.129 -22.354 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -4.548 -15.494 -0.385 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 2.180 2.774 -1.046 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 20.247 -12.998 -2.103 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -20.722 -6.667 -1.170 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 3.162 0.225 -4.024 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 4.022 -11.992 -1.761 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 -6.677 3.835 -15.065 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 1.455 3.194 -7.351 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 18.406 5.583 5.990 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 0.053 10.044 15.147 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 -0.403 -4.688 4.387 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 -23.394 -8.193 24.640 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 14.424 4.769 4.626 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -1.666 -8.008 -8.550 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 -6.733 -2.906 -0.928 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -6.175 -2.410 -11.549 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 -1.913 -1.013 -3.098 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 -2.020 -14.140 -8.183 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -0.624 14.641 7.908 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -0.817 2.053 -1.559 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 1.264 -8.629 -1.800 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 17.912 -0.007 -6.631 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 -2.957 4.969 6.941 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 -9.274 -5.614 7.089 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 -0.687 -29.258 -22.706 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -0.176 -1.628 -3.837 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 -18.888 16.092 3.039 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 10.712 -8.426 21.950 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 -3.311 -3.956 -1.468 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 15.881 -10.923 -7.419 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 -11.798 -1.671 3.397 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -0.617 -7.332 4.966 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -23.583 -11.436 8.482 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 -23.445 24.904 -20.573 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 9.331 4.719 0.261 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 12.451 7.809 -0.612 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 3.224 7.207 5.387 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 4.805 4.346 3.969 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -2.505 -0.360 14.570 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 5.833 -3.767 0.704 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -0.348 0.405 1.770 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -15.033 -4.307 5.329 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 0.543 4.450 -8.221 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 4.813 1.393 -6.541 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 -13.395 -26.794 2.390 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -2.074 -12.742 -5.618 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 4.451 -9.606 3.531 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 22.580 -9.076 -8.301 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -4.814 -26.762 -2.012 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -2.431 1.793 4.797 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -16.036 3.653 -0.594 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 0.825 6.326 17.162 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 -11.589 4.921 0.681 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -3.734 2.577 -3.883 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -12.139 0.535 7.701 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -2.643 0.855 5.798 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -1.167 -25.337 6.616 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 7.330 -7.884 -4.018 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 1.116 1.781 -0.200 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 1.353 8.397 0.471 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -1.419 -9.152 1.739 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 4.494 2.627 -0.911 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 11.212 5.034 1.849 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 22.677 -1.967 -8.791 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -4.722 -3.321 -4.446 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -5.190 -10.478 -36.363 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 -2.642 -5.887 -2.547 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 4.922 4.639 -2.956 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 -25.839 7.758 7.232 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 -7.667 5.303 1.239 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 -2.929 2.253 -3.017 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 25.661 32.261 15.311 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 4.548 14.399 -5.678 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -4.282 7.240 1.538 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -12.072 10.112 -14.728 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 -20.733 -7.624 0.345 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 -0.516 2.925 1.395 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -8.364 6.754 16.125 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 11.216 -11.781 12.927 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 -2.445 8.722 -0.411 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 20.601 -6.634 19.462 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 -11.764 14.927 -9.429 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 -7.375 0.810 -1.982 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 -4.905 -12.456 8.574 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 13.337 -0.886 -22.095 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 -5.425 -2.321 3.024 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 1.673 -8.859 1.489 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -8.087 -5.961 11.158 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 1.829 3.819 -0.175 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 11.100 8.382 4.888 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 3.061 6.380 3.867 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 3.589 7.102 -2.388 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 8.047 9.350 -7.557 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 -1.673 17.707 11.133 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 3.478 -0.283 -6.607 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -12.912 1.775 1.273 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 12.437 18.116 4.278 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -0.081 -4.644 0.668 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 10.812 6.052 -40.239 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 8.490 -3.457 -16.660 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 9.942 -1.578 1.938 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 9.484 -2.338 -6.272 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 8.963 -1.679 -10.968 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 8.089 -2.324 4.845 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 -26.323 -7.494 10.218 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 10.403 22.925 9.848 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 1.904 1.900 -2.665 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -15.025 0.509 3.023 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 8.746 -10.140 -2.958 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 7.090 3.915 2.790 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 10.527 1.957 -4.653 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 16.717 6.861 4.013 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 5.374 -7.873 -3.588 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 15.782 12.887 4.692 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 0.934 -17.897 -2.373 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 1.389 -5.745 3.706 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -1.305 -4.381 -25.895 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 3.351 -13.643 1.743 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 -4.553 -2.180 -0.372 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -8.271 -2.138 -5.226 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 7.340 -5.940 14.018 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 -7.184 -2.106 -4.577 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 -4.842 -10.634 10.658 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 -5.722 -7.625 0.262 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -2.283 1.864 5.425 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -4.037 11.745 18.374 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 -17.464 -3.755 5.016 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 -4.809 -2.142 2.400 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 -0.257 8.137 -5.229 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -8.369 8.197 3.922 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -4.423 0.660 1.931 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 -6.273 23.955 26.087 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -5.338 -14.389 -7.126 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 3.295 -6.092 3.331 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -11.988 -3.534 3.197 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 15.060 2.381 -9.009 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 -2.050 -1.276 -0.595 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 -5.312 -6.126 1.986 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 -5.168 2.560 -1.918 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -3.987 -0.708 0.114 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 2.809 15.723 -10.367 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 3.868 -4.756 -6.865 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -7.475 -5.158 4.299 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 -12.574 -2.992 -0.008 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 18.032 9.493 -15.236 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 0.209 -1.043 -1.508 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 -5.547 -4.111 -13.462 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 10.102 -5.187 5.578 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -2.328 5.065 -7.430 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -19.880 2.126 -1.977 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 7.497 21.365 8.324 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 0.053 0.220 3.253 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 22.243 31.844 -4.969 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 -1.451 8.903 -5.790 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 3.858 1.493 8.544 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 10.890 -0.791 10.867 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 -29.035 -7.018 -0.641 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -3.197 -1.623 7.295 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 30.875 1.070 11.061 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 3.762 1.156 -3.188 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 -3.504 0.545 -0.290 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 13.699 10.299 -14.281 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 -11.732 0.493 -2.921 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 -0.955 2.089 4.767 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 3.113 12.668 6.023 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 12.823 7.844 -45.530 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -2.503 1.134 8.112 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 30.079 -16.447 2.303 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 -20.975 6.838 -9.363 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 2.259 -7.003 7.259 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 22.645 -17.403 21.211 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 14.539 -12.070 6.764 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 -2.808 -5.310 -3.806 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 -3.452 -9.681 -6.692 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 -12.227 -11.293 -28.076 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 -2.255 1.394 1.196 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -7.035 1.418 0.227 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -7.374 1.723 0.925 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 -2.140 4.403 -4.630 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 -0.111 8.256 -0.287 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 6.293 3.902 1.562 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 3.143 -1.288 0.199 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 8.826 -5.618 14.526 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 2.104 0.464 2.987 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 0.760 2.160 5.735 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 5.692 -25.649 -46.452 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 13.544 -9.388 -6.669 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 0.864 3.754 -1.812 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 13.754 -5.750 -15.533 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 -3.294 4.188 0.763 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -0.540 5.093 1.846 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 -11.305 7.410 12.631 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 4.020 -7.958 -5.522 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 -3.490 0.787 0.317 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 -5.121 1.579 -0.160 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 -10.480 5.077 -1.012 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 3.053 6.998 -2.010 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 12.358 -1.453 -4.681 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -4.062 3.789 -6.399 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 0.347 -4.251 4.268 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 7.179 2.484 15.675 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 9.355 22.778 -2.399 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 -1.044 2.097 -1.684 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 5.135 27.987 7.973 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 21.591 -14.403 -8.422 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 0.173 -2.626 -0.301 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 -0.420 -10.500 7.185 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 1.840 -6.924 -5.755 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -3.125 0.455 1.060 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 -21.095 -1.475 8.054 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 21.902 8.488 -11.194 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 -1.551 1.256 1.152 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -8.164 12.994 -7.490 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -9.223 -4.105 12.550 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 4.050 2.192 -0.247 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -6.953 -3.437 2.034 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 -19.017 -8.055 15.533 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 4.740 -2.043 -4.151 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 12.033 12.159 -10.896 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 20.975 -2.820 7.231 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 3.439 -4.672 -0.582 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 8.426 29.281 11.587 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -22.759 12.475 4.959 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 5.812 -8.319 -0.894 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 1.643 -6.797 -2.456 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 3.661 -15.722 -8.571 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 -0.954 -0.055 -3.510 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 -4.745 -2.761 -0.596 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -10.174 2.803 -0.285 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 -1.867 3.072 -6.290 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 -8.110 19.392 4.344 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 8.521 0.666 8.491 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 1.663 -0.778 -3.031 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 9.730 0.002 -3.529 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -6.268 -13.039 11.578 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 -2.794 -3.095 -3.204 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 -15.134 -1.008 -0.659 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 13.887 7.536 -2.363 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 -11.383 -1.725 -0.811 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 -15.454 33.745 -6.245 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -6.068 22.131 13.039 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 5.152 5.018 -2.963 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 -20.242 11.511 -34.693 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 -4.779 -11.638 -21.463 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -0.162 2.878 -0.463 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 -3.288 -22.076 -17.171 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -4.567 -23.879 -39.207 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 3.219 5.658 -1.499 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 -1.507 27.797 -15.865 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -9.784 4.287 10.841 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 0.208 1.882 -2.399 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 1.582 4.046 -2.032 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 17.633 21.507 0.706 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 2.294 -2.130 0.838 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 -23.713 -14.225 -11.726 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 24.287 21.503 1.500 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 1.082 -0.131 2.596 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 9.411 14.795 10.539 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 7.025 -2.271 2.291 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 0.605 -0.663 3.689 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 -2.415 8.590 -0.255 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 20.913 8.558 18.225 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 1.020 2.209 4.093 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 30.983 4.705 -0.491 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -3.626 -17.700 16.612 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 0.353 -3.479 -4.403 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 1.730 -14.995 -11.769 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 0.141 -8.378 -8.405 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -3.134 -3.826 -0.844 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -3.324 11.962 20.386 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 7.679 -26.534 2.873 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 3.152 0.705 2.822 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 6.312 -5.838 11.513 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 0.598 10.290 -13.467 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 5.212 0.764 1.347 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 5.172 -0.824 -5.326 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 7.710 9.231 10.204 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -5.735 -0.234 -4.160 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 -12.001 -12.426 -13.017 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 32.653 32.620 8.428 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 -3.848 2.427 4.420 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -17.360 8.336 1.109 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 4.293 16.240 12.276 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 7.256 -0.070 1.251 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -11.306 3.401 13.930 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 13.396 -10.757 0.557 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 10.186 1.662 6.510 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 10.625 -1.753 6.362 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 6.880 14.716 3.441 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 1.868 2.003 5.499 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -7.467 4.100 3.062 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 1.111 0.655 6.161 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 2.846 -5.362 0.841 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 2.910 -18.493 1.171 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 4.149 -3.054 -2.059 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 4.837 0.850 -5.346 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 16.599 -14.368 -17.177 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 -4.739 7.551 8.220 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 5.397 3.889 0.915 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 2.615 5.156 -0.752 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 2.387 9.553 -6.815 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 4.092 4.368 4.331 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 3.828 -17.626 -5.152 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 2.502 7.255 6.414 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 4.837 -2.405 0.372 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 -2.467 -6.066 -6.381 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 8.322 3.672 -4.747 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 0.283 -0.261 3.206 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 13.293 -13.084 -14.076 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -3.266 -16.774 19.356 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 2.333 3.049 1.110 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 -22.655 -6.898 -19.586 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 -13.684 -0.604 16.688 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 -3.013 -3.101 -0.360 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -5.256 -8.386 -7.779 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 0.296 -9.517 6.630 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -3.252 2.129 2.780 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 18.196 -10.769 4.873 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -3.795 -0.166 -1.569 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 3.186 -4.288 -3.501 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 15.482 1.724 -6.768 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -6.506 -8.028 -0.862 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 4.225 0.531 3.804 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 8.315 -21.063 5.655 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 2.488 10.993 4.014 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -3.266 -2.718 1.600 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 -11.584 14.595 11.624 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -21.697 7.781 10.787 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 1.854 -0.588 2.968 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 -5.830 -8.131 -19.376 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 10.362 -21.806 14.198 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 3.102 2.546 0.448 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 17.593 -11.812 9.157 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 2.899 -8.794 6.794 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -3.567 -6.069 -4.188 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 -11.771 -14.042 -13.538 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 14.535 -5.882 -7.814 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 -0.173 -0.087 5.072 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 7.768 -2.891 6.806 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -36.535 -11.516 13.442 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 0.938 -1.297 -4.490 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 9.409 -8.172 -5.709 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -2.627 0.970 -3.434 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 -5.656 -0.775 -0.121 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -4.555 -3.097 -1.988 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 -5.233 -3.863 0.617 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 6.201 -1.451 -2.463 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 3.808 3.753 -2.492 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 6.303 -9.880 3.001 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -9.639 2.777 4.456 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 5.389 14.199 8.343 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 11.395 -0.066 6.922 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 -1.116 -1.487 -5.239 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 12.667 -2.917 2.400 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 28.539 -6.860 -11.386 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 0.528 0.702 1.081 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 -3.736 9.299 0.013 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 26.301 4.211 3.307 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 4.863 1.983 -8.017 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 6.482 11.682 -2.028 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 13.275 20.218 -0.667 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -0.910 2.215 0.395 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 10.106 -11.441 1.269 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 8.553 15.056 0.077 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 5.087 -2.934 -1.306 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 2.757 1.905 -21.989 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 10.254 -12.503 10.801 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 -1.694 -0.342 6.631 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 21.412 6.125 -7.403 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -14.460 -5.948 -16.845 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -0.481 5.784 -2.629 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 16.656 -10.218 -18.002 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -5.796 4.506 2.647 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 -0.768 4.571 -5.834 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -6.493 -26.280 17.806 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -7.124 4.148 7.449 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 2.796 0.990 -3.182 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 -12.171 4.484 -4.358 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 -10.926 9.940 -8.269 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -0.785 -5.965 2.440 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 3.655 37.909 7.885 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 16.132 26.172 -6.643 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 -7.146 2.989 -0.371 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -13.623 -7.271 2.189 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -15.941 11.077 -0.748 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 2.497 8.785 -2.606 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -15.814 2.726 7.160 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 11.946 6.799 -5.213 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -2.389 -1.469 3.195 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 6.276 -12.238 -2.947 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -4.797 -2.954 -0.349 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 2.798 -4.350 4.360 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 11.136 35.187 3.449 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 -28.773 -1.300 1.326 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -0.088 -4.061 -7.216 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 0.914 -13.587 -20.949 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 5.275 -2.015 19.595 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -4.132 1.757 6.396 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 -2.573 -9.676 10.019 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -16.090 -9.717 5.102 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 -2.297 1.692 0.628 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 11.285 9.509 -8.642 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 -2.608 0.580 1.067 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -2.464 6.015 7.138 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -23.812 14.406 -9.672 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -14.094 -22.182 2.359 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 0.329 -0.384 0.393 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 21.166 -0.669 10.777 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 -8.433 -17.169 4.131 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 0.610 -2.060 0.070 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 -1.437 1.622 -0.590 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 10.174 7.757 1.108 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 6.658 1.509 -1.947 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 4.986 -12.982 -0.156 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 4.491 10.292 -0.676 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 2.076 3.477 4.200 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 12.992 4.742 -8.169 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 -0.456 5.671 4.385 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 3.955 0.060 -3.002 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 0.438 -0.848 -3.338 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 2.682 -1.398 -7.453 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 2.780 4.990 0.393 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 6.362 -5.054 7.576 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 1.140 7.486 0.364 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 7.069 -5.936 4.831 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 0.250 -7.008 3.169 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 7.219 -2.077 8.813 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 4.301 -1.280 -1.735 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 -21.926 -5.295 -9.425 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 14.727 -24.693 3.772 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 4.904 5.027 -1.132 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 14.500 -2.347 -7.732 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 -1.084 2.217 7.942 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 0.066 -3.918 -3.402 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -0.831 -29.047 -6.361 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 6.101 -6.687 -1.400 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 9.775 -7.371 7.416 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 8.638 -6.976 -11.194 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 9.429 -7.317 7.870 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 2.366 -3.029 2.557 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -9.252 6.306 2.331 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 8.394 -0.009 12.194 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -3.711 -5.780 -0.394 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -12.733 -20.007 -0.265 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 -17.090 -5.869 4.881 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 -2.222 0.571 10.243 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 11.033 16.829 -16.576 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 2.238 13.444 17.347 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 -1.685 7.667 -0.125 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 -1.056 8.236 -0.614 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 1.260 -9.668 -4.407 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 2.355 -8.314 3.266 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -9.306 -11.608 10.297 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 36.781 14.052 -14.829 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 0.980 -2.481 4.465 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 -1.718 -0.608 26.533 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 13.733 2.321 10.602 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -3.647 -5.792 1.460 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -1.285 -4.675 4.348 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -11.739 -14.381 -5.080 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 2.374 4.397 -0.963 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -5.451 4.427 -4.616 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 -16.568 -9.543 1.145 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -0.689 -0.430 -2.375 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 4.093 -1.133 -6.028 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 6.696 -3.971 1.821 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 -1.085 -2.688 -1.365 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -2.752 7.099 2.135 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 -2.959 -27.437 -6.141 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -1.785 1.146 -0.004 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 0.359 0.940 -2.382 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 -1.756 5.153 1.338 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 -1.308 8.537 1.085 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 9.914 -32.028 -7.018 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 -12.648 8.777 -16.511 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -3.213 -0.007 -0.328 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 -16.437 -1.219 8.375 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 6.201 -1.441 -18.590 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 6.095 -1.482 -2.208 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 4.143 1.055 -11.644 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -1.139 1.658 3.072 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -1.814 -5.810 -4.634 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 -2.603 -13.102 12.652 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 12.968 -26.547 -21.083 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 -5.974 7.896 -2.085 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 -26.703 -4.797 0.851 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 -16.883 4.988 2.198 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 -0.116 -3.052 -3.895 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 2.537 -6.630 -23.237 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 16.812 0.371 0.165 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 -0.868 -3.663 -1.305 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -3.097 -14.209 0.532 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -4.999 18.823 -1.680 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 -5.275 6.081 0.565 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -2.142 1.412 -9.261 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 -9.742 12.491 12.061 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 2.166 -5.727 4.207 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 0.047 -13.812 3.540 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -0.549 -12.378 -3.530 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 0.478 2.730 -0.247 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 13.717 4.207 8.027 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -8.773 9.403 -4.288 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 -2.430 -4.388 1.039 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 7.781 1.478 5.966 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -4.485 -8.275 1.319 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -1.302 -4.833 2.845 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 -4.700 -7.463 -4.089 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 -0.485 -3.664 9.347 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 1.966 3.294 -2.713 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 12.116 5.237 4.033 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 10.420 4.952 0.771 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 0.740 -3.147 1.024 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -2.414 14.983 -27.912 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 4.946 -1.386 -4.961 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -0.087 -7.991 -1.559 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -8.810 -30.212 -11.361 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 -8.134 -8.177 0.679 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 8.865 -6.627 -1.594 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 9.819 -6.683 1.826 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 6.460 22.118 -8.604 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 1.281 2.442 1.784 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -16.536 6.411 -11.881 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 21.900 10.403 -2.580 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 3.934 -0.735 -1.797 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 -1.976 -15.156 16.308 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 8.570 -17.937 -16.684 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 -6.610 -1.512 -1.177 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -12.233 16.854 4.805 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 -28.744 -6.246 3.757 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -1.207 -0.643 0.821 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 7.256 5.036 11.820 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 -12.871 5.916 -13.862 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 3.134 -2.609 0.625 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 -15.098 -20.058 -5.102 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -2.557 3.066 22.953 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 2.249 4.740 -1.885 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 3.264 31.545 11.161 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 3.705 -15.656 1.367 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 12.383 2.939 -5.022 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 29.987 -13.297 -8.399 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 13.228 5.546 22.392 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 8.606 -5.326 2.323 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 5.165 2.918 -4.479 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 5.050 3.006 -3.699 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 1.155 3.233 -5.109 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -8.675 -5.455 2.711 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -22.659 2.595 3.793 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 3.126 -1.838 -2.932 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -11.132 1.284 2.805 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 17.510 0.688 -30.215 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 11.139 -0.543 0.766 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 9.584 6.547 1.836 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 11.761 -14.429 -1.595 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 5.060 -4.796 -1.428 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 5.586 11.446 23.991 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 13.110 17.737 -18.314 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 -6.169 -2.112 1.697 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 2.472 9.876 -5.960 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 0.889 11.066 7.544 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 0.827 -0.658 2.554 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 5.243 -12.571 -5.317 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 -3.835 12.423 -12.381 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 -2.041 1.336 4.754 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 -14.247 -15.304 -1.590 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -12.550 3.170 20.815 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -4.345 0.657 -9.654 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 8.481 1.424 8.420 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 9.749 1.339 9.186 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 -8.608 2.165 -2.074 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 1.959 -2.758 1.386 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 17.382 -11.315 8.563 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 1.373 3.946 0.228 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 12.109 -3.309 8.389 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 6.310 4.603 -11.354 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 -7.188 -6.948 -8.297 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 -16.292 3.097 19.088 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 31.359 4.363 -3.852 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -4.129 -5.453 4.654 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 1.215 -12.200 10.267 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 -5.662 -10.143 9.419 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 1.499 0.252 -1.222 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 17.726 8.669 -13.661 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 -18.540 -1.901 -8.731 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 3.933 4.620 1.463 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 -11.953 17.274 6.696 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 1.567 -4.848 7.181 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 0.977 2.005 0.842 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 2.369 -3.030 -4.925 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 -3.555 -9.538 6.656 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 10.767 4.354 2.361 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 11.025 -11.303 5.873 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 -7.629 20.732 -3.295 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 8.415 7.193 7.372 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 -17.179 15.066 -5.351 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 17.741 15.525 -15.469 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 0.820 2.524 -5.854 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -7.878 14.279 -3.958 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 0.524 -3.389 -18.553 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 2.635 -3.705 -1.110 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 -3.507 -25.036 20.679 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -8.907 -6.160 5.019 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -5.036 5.993 -1.739 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 8.884 -3.253 4.393 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -1.839 11.576 -2.658 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -5.459 1.066 1.184 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 4.518 -3.303 -15.629 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -4.207 5.629 12.443 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 1.997 -1.838 -0.846 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 3.565 7.684 2.895 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 2.384 5.936 1.353 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 -3.206 1.223 4.504 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 1.506 -0.221 6.339 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -11.136 3.466 0.727 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 -1.261 5.682 -4.675 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 3.387 4.638 -6.233 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 -4.028 5.447 1.311 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -4.934 4.728 0.433 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -6.719 -1.686 -4.679 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 3.148 4.804 0.575 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 1.777 -2.987 -4.082 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 10.845 -19.466 22.997 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 9.418 -14.374 14.141 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 -4.658 4.967 0.673 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 19.092 7.198 0.902 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 3.654 36.086 -8.416 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -4.937 -1.018 -3.858 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 -1.806 -17.771 -11.905 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -12.694 24.186 -35.327 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 2.041 2.477 1.844 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -0.255 -12.356 -2.357 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 2.753 13.722 -0.299 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -0.124 8.692 -1.243 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -14.115 16.419 -19.502 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 -3.516 -9.290 -11.191 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 -2.647 -2.897 -9.546 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 3.937 -0.949 -4.583 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 -7.689 -5.355 -3.717 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 0.941 7.439 -3.146 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 4.587 -13.374 4.935 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 2.084 3.740 -6.038 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 4.424 -0.597 2.583 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 -14.554 -1.218 -8.890 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 10.669 -24.407 6.059 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -3.149 5.816 -7.610 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 17.096 -12.642 -0.662 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -5.448 -10.023 -7.347 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 -0.212 -0.263 5.682 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 3.290 4.160 3.243 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 -4.194 -8.782 5.977 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -5.722 6.866 -0.071 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 -3.844 5.296 -5.277 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -13.233 9.186 -5.510 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 3.897 5.812 -0.207 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 13.063 -4.498 -0.923 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -0.040 10.290 15.424 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 1.853 -1.625 -0.345 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 8.819 19.989 20.276 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 22.200 1.718 -23.188 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 4.433 0.435 4.249 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 6.077 5.583 -6.842 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 14.484 -2.578 -12.275 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 8.133 6.426 1.700 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 7.252 5.417 1.705 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 23.140 -1.300 -11.739 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 1.297 -5.142 2.255 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 7.175 -0.222 5.987 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -7.450 29.368 11.720 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -0.587 3.966 2.167 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -20.112 -15.045 -10.779 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 -21.376 25.582 15.055 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 -0.356 -6.864 -0.252 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 18.337 -17.200 4.474 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 31.165 -7.365 -13.059 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 -0.150 4.397 5.523 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -3.470 -6.756 -7.746 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -15.497 8.141 2.969 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 4.300 0.957 5.039 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -11.597 5.001 -14.573 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 9.594 -4.346 -15.514 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 -2.187 -2.804 -4.155 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -8.370 5.441 -5.429 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 2.052 -4.342 1.859 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -0.187 0.639 -7.209 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 -29.813 2.439 5.905 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 -27.395 -1.567 8.999 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -0.495 3.469 2.192 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 7.548 1.754 -9.295 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -8.582 -18.354 6.832 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 5.775 2.880 2.837 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 21.491 -10.888 -3.594 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 11.272 3.149 8.876 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 -0.182 0.094 -0.799 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 0.321 1.948 8.966 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -3.318 -0.778 -0.562 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 -0.313 -6.143 7.057 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 1.955 -6.269 3.181 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -2.705 -6.390 9.839 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 2.140 -6.291 0.033 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 13.962 -28.873 -9.114 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 2.503 4.726 -12.350 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 3.112 -5.083 4.994 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 -25.345 2.341 -8.338 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 4.404 -29.685 31.925 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 -1.687 -1.774 -6.145 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 6.935 2.581 -14.717 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 -9.759 -6.895 1.877 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 1.589 2.914 7.649 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -3.241 1.219 8.285 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 -2.015 1.227 6.953 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -4.992 -1.395 1.177 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 13.217 13.612 -19.043 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 -0.336 -11.766 26.352 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 4.227 -1.364 -7.891 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 3.870 -29.282 -25.054 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -2.099 -12.735 -17.790 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 1.400 1.493 0.521 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -9.638 -7.499 14.477 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 6.503 -21.177 1.260 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 4.354 -1.193 -4.375 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 10.347 -20.383 -1.500 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 14.964 13.190 6.440 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 -0.483 -1.020 -4.427 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 4.488 -2.957 -6.217 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -5.921 -5.341 -9.722 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 1.518 2.500 1.608 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 5.662 0.133 -7.224 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 1.083 12.075 -1.551 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 2.697 2.658 4.614 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 6.208 2.932 2.746 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -0.575 5.769 5.401 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 -2.923 1.383 -0.472 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 14.838 5.470 9.559 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 7.170 11.464 -12.106 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 3.419 2.291 -5.305 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 5.900 6.997 -7.444 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 9.306 -2.684 -2.075 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -2.712 7.230 -2.863 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 9.566 -8.890 -1.529 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -8.348 15.884 -3.373 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 2.927 3.630 -1.766 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 15.883 6.323 -10.956 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -1.615 -10.027 -4.532 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 0.876 -1.857 1.114 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 -11.522 -12.778 12.737 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 -9.035 12.938 1.782 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 -6.982 -0.268 6.654 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 -7.730 2.027 6.317 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -8.880 -2.434 4.859 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -2.079 4.655 2.905 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -0.558 2.950 13.116 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -0.983 9.046 26.053 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 -1.091 -3.645 0.557 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -2.211 -10.178 -6.331 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 0.446 -6.003 -0.335 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -0.220 -6.539 -6.099 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -11.950 -7.954 6.682 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 2.654 -1.711 -3.384 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 0.998 -1.870 0.382 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 5.175 -9.788 8.895 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 4.033 -3.526 -2.505 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 -0.060 0.379 -0.183 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 1.802 5.011 6.503 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 9.267 -1.839 0.863 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -3.042 -2.285 5.945 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 -1.526 -15.332 10.295 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 28.410 6.654 2.116 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -2.967 1.320 -6.119 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -4.410 -13.535 -19.436 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 16.212 13.886 -0.433 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -0.145 1.473 -5.512 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -4.830 9.286 -1.374 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 2.030 -5.327 -1.310 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 -3.041 2.462 -6.951 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -7.401 13.565 9.762 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 0.612 8.439 -2.194 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 1.397 -0.347 4.413 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 -8.860 5.419 -5.280 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 -5.662 -36.874 4.632 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 7.034 -1.249 -0.864 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 4.169 -1.567 8.550 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 3.444 -4.308 7.340 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 1.226 -0.205 -1.845 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 13.523 -3.410 -17.750 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -6.906 -3.310 -17.435 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 0.145 -0.136 -0.770 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -1.170 1.400 -0.209 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 1.450 0.056 -2.165 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 1.928 1.777 1.927 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 -10.425 10.638 -2.194 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -3.904 -12.410 15.117 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 3.350 -3.896 1.933 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -1.404 -9.984 -11.364 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 5.449 -12.659 0.641 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 0.862 5.188 2.029 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -14.307 -1.832 1.312 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 -15.693 -0.192 25.557 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 -2.504 -2.155 -3.467 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 -3.454 12.925 14.604 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -9.587 -21.466 -0.070 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 3.409 -0.529 9.684 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 3.580 -0.410 9.432 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -7.994 -6.453 12.097 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 6.648 4.068 -2.076 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 8.850 -5.938 -1.970 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 3.618 -6.716 2.060 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -3.145 2.776 5.161 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 -4.125 1.407 13.489 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 7.572 0.681 -0.735 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 0.451 -0.589 1.296 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -15.476 5.091 -11.764 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -2.256 0.461 -1.830 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 0.736 -7.830 -0.287 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -10.774 -18.268 -17.802 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 3.953 13.553 -7.728 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 -0.450 2.409 5.040 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 8.451 12.117 -13.340 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 -16.180 -1.732 -4.025 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 -3.499 -1.337 5.283 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 -1.542 -11.798 -4.457 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 2.650 12.844 7.179 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 1.670 0.614 -5.143 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 -6.117 -14.543 17.506 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 8.828 26.418 -3.620 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 1.552 -3.631 0.966 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 1.616 -0.765 -11.233 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 18.668 -0.364 2.520 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -4.325 6.449 0.923 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -4.197 9.723 -11.117 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 0.110 6.347 -11.189 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 2.205 7.504 -4.616 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -11.981 6.190 -20.840 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -1.775 6.273 1.030 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 3.391 -4.877 5.807 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 6.403 15.237 -13.697 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 5.042 -4.375 5.290 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 -5.119 -1.169 1.922 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 -11.514 -6.912 21.181 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 1.142 5.751 -15.364 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 2.763 2.790 -5.706 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 9.748 -1.654 -20.218 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 -6.794 32.235 -19.967 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 -0.172 5.012 -3.623 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 -0.712 -3.491 7.701 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -3.328 16.017 0.184 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -0.495 2.277 7.253 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 3.460 25.814 14.057 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 15.880 10.017 4.890 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 -2.064 1.435 0.674 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -6.762 2.252 2.400 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 18.196 -2.259 -4.522 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -3.920 1.841 -6.882 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 -0.629 2.325 -7.145 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -10.595 9.280 -4.378 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 1.217 -2.827 2.384 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 5.602 3.799 12.834 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -7.138 4.903 -13.663 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 1.692 0.064 0.251 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 7.941 -0.289 -22.967 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -7.922 -2.014 -48.776 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 -1.769 3.604 -1.780 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 5.149 21.639 6.273 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -11.133 4.002 -5.203 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 1.125 -1.737 1.003 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -3.391 20.311 -7.327 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 5.339 1.875 24.992 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 -1.129 -0.592 3.406 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 17.380 21.668 33.672 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 2.155 -16.094 -0.365 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 2.787 4.901 1.354 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 -6.422 -1.740 -3.736 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 -15.075 -3.294 -5.784 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -2.103 -0.044 1.171 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 -10.810 -16.159 8.188 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 9.265 -10.656 9.612 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 1.942 -2.051 3.337 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 8.776 10.018 -18.982 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -7.259 -15.575 27.751 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 3.326 -10.989 -10.753 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 3.795 -20.343 -19.901 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -2.203 -12.132 1.314 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 0.120 -4.256 1.329 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 3.501 -18.375 25.867 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 8.172 17.782 0.464 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 -5.765 -2.388 -3.973 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 -25.922 0.090 14.808 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -11.170 4.326 3.914 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -1.028 -5.055 -3.850 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -33.075 5.244 20.888 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 10.636 15.162 5.018 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -2.057 4.843 1.224 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 1.580 2.110 4.990 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -9.885 6.154 1.612 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 2.571 0.442 2.531 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 -4.792 -3.514 -5.158 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 -0.086 -9.722 -10.115 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 -9.032 0.845 -7.170 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -15.439 5.734 3.056 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -16.529 12.831 -16.658 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -0.925 -1.250 -1.377 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 -14.499 -1.453 -16.253 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 9.932 -19.451 -4.207 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -8.403 0.240 2.653 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 0.228 12.004 6.943 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 5.209 -4.414 0.953 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 -4.413 -1.795 -0.419 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 5.085 -7.312 -4.111 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -3.778 3.789 -10.306 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 -6.542 2.420 3.770 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 -7.745 -12.970 0.731 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 4.264 7.686 -5.693 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 10.565 -3.337 6.301 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 22.051 1.095 16.835 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 -2.522 -14.790 9.446 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -5.873 -2.546 -1.471 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -22.283 2.040 -0.503 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -4.385 -5.874 13.575 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 -8.841 1.000 -1.715 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 -0.466 -1.269 1.279 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -1.158 27.755 11.970 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 -6.081 0.759 -1.604 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 -3.498 17.209 13.457 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 27.312 6.128 16.645 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 5.103 8.628 -0.166 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 6.664 14.371 -16.364 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -5.598 -1.834 20.254 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 1.378 -2.536 3.345 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 5.871 -0.464 12.406 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 -3.336 -13.457 3.454 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -4.907 -6.862 0.054 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -0.021 -10.160 -2.884 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 -2.006 1.643 2.050 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 4.613 1.865 -4.468 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 -1.991 1.795 -4.297 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 -10.205 -23.254 -12.512 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 -4.254 0.329 -6.964 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 -4.531 1.593 -11.096 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 10.827 -3.768 -12.549 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 0.600 -3.310 -2.800 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 0.402 -10.853 -1.389 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -3.833 2.880 -2.599 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 4.322 2.417 0.605 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -19.084 14.324 -4.040 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 1.567 2.840 6.086 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -1.671 0.052 -1.789 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 -0.693 1.323 -0.198 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 1.184 -2.871 -4.940 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -3.803 0.975 -0.635 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -1.679 0.966 22.725 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 -6.347 -6.887 4.324 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 -0.215 -0.015 0.598 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 -35.031 -15.802 -3.612 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 3.109 1.052 1.671 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 1.230 -2.598 -0.390 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 -7.176 -12.227 -11.240 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 -1.761 23.099 4.815 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 -7.797 -2.185 -1.538 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 7.234 -15.517 24.502 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 9.368 -8.468 -1.081 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 5.415 -3.484 -0.333 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 0.534 8.321 2.364 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 10.965 -0.278 -4.934 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -7.016 -2.253 0.759 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -8.284 1.844 -15.009 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 2.537 -2.555 -3.735 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 0.167 2.290 -0.329 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 -0.930 4.861 -2.333 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 1.575 -6.825 9.012 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 1.450 0.698 -3.808 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 7.244 -11.017 -4.627 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 -2.623 6.710 -7.505 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -2.368 9.876 -0.086 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 31.000 6.070 -2.560 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -11.430 -12.333 5.508 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -5.896 2.793 0.340 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 1.358 16.910 32.807 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -2.953 -5.411 -0.419 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 4.134 -1.243 3.778 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 7.202 -12.513 -21.261 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 39.447 -1.799 8.821 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 2.275 -4.669 -6.192 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 3.087 1.918 -17.454 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 19.786 -2.984 -34.976 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -3.834 2.150 2.000 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 11.653 -7.858 -21.653 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -4.491 2.695 1.942 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 -1.169 0.975 -5.181 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 0.623 12.258 -14.128 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 2.438 -15.848 12.370 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -0.850 4.773 0.681 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -24.646 -11.254 22.364 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -18.526 3.721 18.610 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 -2.093 -1.160 -2.823 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 2.377 32.776 -10.419 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -25.836 13.235 16.815 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 6.715 1.438 -1.248 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 7.146 3.923 -5.789 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -2.806 -30.173 -17.219 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 6.437 6.136 3.253 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 -12.188 31.801 -17.176 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 13.696 -19.070 -7.195 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -0.917 5.032 -6.452 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 -14.570 6.491 -15.848 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 2.282 -6.899 -7.129 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 1.384 -1.580 -6.815 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -1.390 -1.946 -6.060 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 2.387 3.693 -4.906 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 4.765 1.291 -0.715 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 -4.996 19.859 9.912 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 4.910 21.329 -20.752 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 -0.181 -4.924 4.343 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -31.501 14.406 5.103 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 18.002 -14.353 3.246 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -1.988 -8.151 -4.067 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 8.348 -7.051 13.929 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 12.581 -3.835 30.245 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 -0.959 -4.730 -2.945 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -39.160 -17.925 -15.302 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 13.553 0.249 2.435 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 4.342 -1.031 -2.941 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 0.349 -18.271 12.428 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 7.300 -11.467 9.424 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 1.895 0.203 -1.378 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 4.434 -4.637 2.591 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 1.154 2.859 2.012 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 9.997 2.616 1.198 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 0.954 0.146 4.290 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 9.539 -26.478 -1.655 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 -2.702 1.812 2.097 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 -3.771 4.200 4.584 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 1.981 1.731 4.158 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 -0.893 2.107 1.195 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -0.024 6.489 -7.637 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 1.504 -14.959 3.159 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 -0.533 -2.233 1.881 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 -15.343 20.017 3.158 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 15.267 -3.580 7.067 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 -1.824 -3.704 -6.445 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 3.142 8.799 -11.930 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 17.804 1.374 -6.252 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 -1.148 -8.041 1.131 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 13.259 -7.234 -16.489 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 12.385 18.583 -0.076 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -1.300 2.564 -0.065 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 11.084 -10.403 -10.430 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 -21.888 19.499 3.136 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 -4.146 -0.357 -7.761 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 11.318 -1.720 -8.446 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 3.510 12.869 7.222 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -5.515 5.510 -4.037 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 22.186 -15.532 -25.999 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 -9.647 38.326 -14.213 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 0.023 2.217 1.380 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 13.363 12.774 -30.570 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 10.007 1.067 -10.453 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 1.353 -4.460 -0.380 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 -1.643 3.353 -12.755 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 0.659 -8.242 16.418 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 1.097 4.055 1.831 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 -7.671 4.077 2.618 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 3.539 4.133 1.495 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 3.916 -1.444 0.989 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 -13.047 -5.867 2.065 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 18.267 22.013 -7.889 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 -1.605 -3.253 2.393 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 -2.110 9.599 17.162 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 -12.358 0.629 7.729 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 -5.704 -5.205 2.283 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 8.505 -5.295 -23.375 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 5.083 -3.585 -11.590 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 4.297 -1.090 -2.853 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 -20.255 -8.293 6.534 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 9.813 4.539 -1.759 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 -3.180 1.646 -3.458 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 6.792 15.118 11.807 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 0.455 18.516 -13.097 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -3.044 2.396 -1.835 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -8.687 12.468 -8.595 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 9.501 17.592 14.720 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 -0.958 -1.476 3.716 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 7.117 -6.748 9.913 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 -12.496 10.936 -14.455 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 5.916 10.767 -1.517 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 2.736 10.750 -5.066 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 14.276 8.287 -8.106 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 3.144 5.308 -8.464 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 4.294 10.234 22.286 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 0.275 5.118 -5.079 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 -1.570 1.790 -2.580 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 -1.093 0.267 -0.618 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 4.955 7.927 -2.065 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 4.424 0.941 3.542 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 2.206 2.104 2.199 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 11.666 2.070 -6.009 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 -7.160 -2.239 -5.766 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 -11.920 1.855 -9.724 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 -7.121 -22.672 -11.685 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 -10.110 0.462 6.194 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -8.864 0.925 0.709 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -4.602 0.617 5.241 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 5.343 -0.730 1.827 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 8.525 26.004 3.167 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 8.107 -6.183 1.523 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 6.291 -2.167 2.647 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 -6.547 9.678 13.150 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 29.115 -11.756 15.460 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 4.597 2.517 -3.696 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 14.109 15.786 -12.423 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -6.134 1.777 -2.658 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -1.980 0.945 -3.146 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 -9.313 -7.854 -0.864 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 3.412 -4.527 -11.606 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -0.269 5.411 -6.994 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 5.825 -7.176 0.934 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 -11.641 -4.146 -12.153 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 2.261 0.942 -3.936 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 2.505 1.863 -3.523 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 10.931 19.163 0.654 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 -4.801 -0.836 6.282 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 2.652 1.054 7.544 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 2.236 -21.700 8.776 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 6.894 2.851 3.536 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 -2.321 -13.555 10.722 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 -11.527 3.599 18.406 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 2.444 1.567 4.531 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -2.556 -6.943 -5.712 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 -2.462 -1.248 -10.660 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 -2.382 -4.091 9.506 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 -14.701 2.585 6.466 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 11.141 -11.007 11.712 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 2.274 -4.611 9.267 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 13.403 2.092 5.568 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 -0.450 -0.538 9.436 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 -1.913 -0.334 -4.489 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 -11.335 3.893 -20.033 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -20.550 5.123 8.704 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 2.511 1.872 -0.308 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 -4.538 -6.519 14.691 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 2.574 2.106 -0.456 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 1.440 -0.158 -2.935 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 -11.464 1.469 -7.770 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 -14.619 12.754 13.096 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -0.916 2.947 -1.330 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 22.123 -36.058 9.163 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 11.648 -19.523 1.952 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 -6.127 1.496 1.586 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -2.284 1.078 -5.133 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 -8.132 -0.418 7.702 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 3.305 -6.659 4.849 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 -1.506 0.735 2.638 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 -16.144 -0.887 3.695 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -4.986 4.197 3.385 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -3.401 1.543 -8.044 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -2.660 27.446 -7.875 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -0.709 7.898 2.835 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 -9.812 -2.078 14.165 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 4.961 -13.940 6.053 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 2.425 -5.038 0.094 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 13.538 4.770 10.910 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 5.480 -5.978 -2.149 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 4.295 -0.078 5.773 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 11.289 -10.335 11.438 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 9.179 8.590 -17.724 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 7.687 2.218 5.678 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 13.005 -21.935 -2.288 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 19.065 1.168 6.168 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 0.411 -2.090 -2.373 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 6.007 10.965 3.206 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 -12.479 8.525 -14.027 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -2.964 3.735 -5.778 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 -2.853 -3.060 17.177 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 -2.780 7.911 -21.906 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 7.374 2.933 -5.091 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 -7.871 -5.578 -10.734 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 10.421 -7.800 -2.024 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 1.266 4.199 -1.545 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -8.659 19.665 -13.101 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 0.453 5.788 14.211 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 0.158 -1.071 -3.327 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 6.856 -24.231 10.866 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 9.211 -8.158 -0.170 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -3.136 3.091 2.738 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 5.803 -4.475 10.037 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 -13.187 3.164 -1.381 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -0.551 3.875 -0.361 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -3.516 10.525 -4.221 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -0.117 0.894 8.021 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -5.654 3.974 1.439 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 5.096 13.228 16.242 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 12.569 -5.803 10.465 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 2.899 -1.952 0.566 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -11.375 8.009 6.092 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -7.447 -3.127 -9.854 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -2.209 -1.358 7.270 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 -5.781 12.943 7.089 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -3.638 -19.240 1.968 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -1.045 4.931 0.046 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 14.495 -22.312 35.130 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -0.285 23.349 19.153 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 -2.897 0.737 1.382 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 0.910 2.270 0.919 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 -4.785 -10.885 -11.742 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -9.877 1.841 -0.943 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -25.971 6.278 -10.627 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -6.341 -8.090 -5.830 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 1.247 -2.747 0.669 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 -21.279 16.554 -18.540 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 -6.176 3.421 -4.104 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 -7.357 2.833 0.652 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 -7.900 -30.356 -8.130 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 -26.193 16.390 25.068 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 17.232 -0.905 -5.349 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 21.430 -6.387 5.368 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 8.066 -0.630 -5.812 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 2.001 2.403 0.827 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -15.840 8.570 8.966 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 42.360 -9.434 2.022 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 -4.948 -0.631 -2.113 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 -16.287 1.408 5.148 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 3.865 -16.780 -11.155 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 5.617 2.839 -2.703 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 4.164 -1.952 -5.600 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 -10.939 9.594 23.249 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -1.679 -1.674 -4.164 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 11.056 -22.501 -2.931 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 8.713 -8.411 10.489 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 4.507 -1.785 -4.552 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -5.848 0.815 -5.643 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 1.718 10.151 -0.357 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -2.374 -4.323 0.506 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -19.373 -12.803 -8.115 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 18.828 3.773 -19.062 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -6.163 -0.649 -1.310 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 24.114 -21.415 21.730 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 1.572 -10.606 0.509 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 4.756 -5.893 -2.661 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -8.615 -10.738 2.637 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 2.548 -9.369 3.558 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 -0.910 -4.972 -0.891 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -3.222 7.278 17.347 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -7.966 -0.830 -15.216 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 2.384 -5.366 -6.225 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 -1.901 5.910 7.954 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -14.506 -4.532 -23.505 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 10.397 -0.618 -0.810 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 12.136 6.938 -1.717 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 25.435 7.459 -16.973 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 -0.083 3.297 -1.746 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 16.478 12.898 19.130 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 -17.881 19.595 -4.235 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 2.671 -1.835 -4.748 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 0.146 3.503 -25.673 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 2.972 -5.486 -9.926 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -1.458 -3.790 -2.145 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 16.358 -7.044 2.416 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -22.078 -3.780 -6.524 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 0.838 -5.619 0.020 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 -12.987 12.787 -6.254 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 6.094 -9.036 9.824 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 2.780 -7.043 -0.597 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 22.096 -11.683 -3.827 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -23.836 -3.941 6.372 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -8.728 -3.659 -4.142 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 -20.585 -12.177 6.824 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 13.525 -0.407 -31.267 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -4.405 0.131 -6.986 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 6.543 -6.908 15.880 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -2.445 -0.250 22.152 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 -1.789 2.979 -3.493 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 -25.653 -5.231 2.227 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -2.852 4.507 -3.927 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 4.801 -2.459 -5.100 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -0.670 -7.206 -2.259 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 11.428 4.859 0.207 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 0.007 5.709 -1.038 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 -2.273 1.008 -0.406 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -5.154 -2.199 4.053 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 2.990 1.178 1.407 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 3.118 -25.579 -8.915 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 2.801 -3.913 7.538 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 1.587 -5.197 4.896 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 7.795 2.464 -4.392 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 3.200 -4.700 21.302 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 4.563 -0.521 3.699 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 -3.028 21.841 10.472 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 11.758 8.512 -2.599 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 -0.316 -1.723 0.307 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 -6.718 -18.293 7.266 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -8.727 -6.612 -11.091 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 3.732 -5.268 6.262 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 -1.993 10.463 -5.086 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 -1.164 -19.551 12.466 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 1.115 -2.172 -3.985 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 18.322 -1.647 -0.902 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 1.203 -24.695 -8.393 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 -4.252 -6.098 10.253 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -7.988 -7.310 8.593 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 -2.853 -17.206 16.333 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -0.178 4.630 8.571 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -11.955 8.986 0.637 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 7.568 4.166 17.527 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 4.547 -0.372 2.739 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 3.579 5.846 -0.924 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 -1.237 22.485 -13.554 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 -0.168 2.612 -4.003 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 -15.914 -11.486 15.875 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 3.201 7.472 -7.373 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 0.793 7.191 -2.689 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 -14.539 -4.478 -2.166 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 12.220 1.101 -9.191 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -1.570 -12.096 -2.227 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -0.297 2.022 12.350 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -3.047 -6.670 -0.046 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 -0.490 -2.799 5.594 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 16.811 -25.229 -12.798 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -28.388 -15.645 10.047 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 8.742 0.562 1.938 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -3.802 6.945 -1.270 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 4.730 7.649 -3.430 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 0.373 -2.993 -1.555 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 4.142 -7.280 1.187 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -10.161 -6.056 -3.963 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -8.918 -0.162 0.098 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 -16.880 -11.966 -14.808 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -10.625 -6.220 -6.258 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 2.794 1.823 0.596 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -7.782 -4.395 3.497 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -11.716 2.181 11.940 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 2.229 -2.073 -2.087 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 9.368 -9.283 5.127 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 5.685 5.445 -16.697 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 3.013 3.015 -2.063 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 8.700 -8.198 3.150 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -17.361 13.842 -10.855 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -4.834 -4.651 9.204 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -7.967 -4.323 13.208 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -0.927 -6.925 4.278 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 -8.111 1.515 -1.067 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -6.557 3.145 -5.307 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 0.618 9.837 14.987 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -3.668 -1.898 0.699 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -0.129 -4.425 1.814 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -10.050 0.339 -4.270 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 -3.370 0.075 -3.307 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 -4.814 9.089 -3.878 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 -6.504 -1.540 -9.767 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -1.505 1.502 0.067 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -7.616 2.099 -10.576 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -11.643 7.952 5.372 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 -8.014 3.065 -3.382 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 -6.389 1.727 -3.924 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 -0.674 6.171 -0.762 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 3.980 -2.913 0.017 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 -6.388 2.579 -10.857 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -22.466 -6.680 -3.891 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -3.456 6.467 0.353 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 -0.253 3.213 1.212 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -7.993 3.342 -2.521 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -3.934 -0.211 -5.705 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -0.965 7.819 16.415 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 -10.701 -7.005 -18.007 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 4.338 2.266 3.285 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -2.733 7.704 1.246 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 10.952 -7.709 5.953 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.636 0.912 -3.648 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -6.136 0.216 -6.870 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -10.804 -0.887 -9.286 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 6.178 -8.100 4.193 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -2.384 -5.127 -3.952 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 -2.151 -9.159 -6.497 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 -5.673 1.302 -2.025 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 11.851 -20.988 9.667 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 27.098 -11.259 -3.611 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 2.264 1.026 3.354 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 5.120 15.184 -2.293 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 17.956 24.951 -2.514 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 0.699 0.818 -1.853 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 -1.706 -15.755 -1.541 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 -7.643 1.427 2.843 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 4.502 -2.161 3.109 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 9.198 0.109 5.624 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 2.752 -0.619 3.828 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -4.687 -0.379 -7.759 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 -9.273 8.251 -10.232 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 -18.708 12.471 -11.040 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 -4.642 1.777 -8.402 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -4.095 13.332 -8.608 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -2.634 -3.240 -5.788 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -1.553 -7.817 1.489 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 12.224 -3.448 -0.686 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 15.453 7.179 -2.997 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 -1.864 5.419 -0.401 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 6.354 -21.429 0.994 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -16.457 24.685 -10.748 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 10.928 0.838 7.684 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -22.464 -12.060 29.359 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 19.492 1.616 -3.317 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -5.701 1.746 2.396 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 17.576 -2.803 -14.997 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 4.170 -0.915 18.832 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 -7.029 0.006 -6.340 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 -0.915 13.395 3.703 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 1.389 14.430 22.058 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -0.805 -1.687 -5.160 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 5.988 -9.360 -5.505 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -1.038 -4.945 7.717 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 -6.176 1.234 2.870 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 -0.495 12.278 -3.241 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 -0.968 12.935 2.287 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 -2.600 2.122 3.155 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 21.339 -1.716 16.893 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 12.109 -13.898 20.684 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 1.432 0.054 0.721 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 2.360 1.963 -8.794 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 2.262 -1.202 -5.692 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -3.794 1.212 7.620 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 6.966 -9.550 13.932 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 -12.501 16.124 -4.331 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 -3.494 -0.342 -0.921 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 -5.621 -16.652 5.408 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 18.635 16.336 0.469 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 0.215 -1.432 -1.363 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 15.093 14.386 7.355 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 4.840 -10.032 13.487 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -0.829 5.970 4.447 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 19.315 -21.168 -30.535 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 1.493 2.864 0.940 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -2.813 2.838 -1.276 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -4.065 -2.227 6.962 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -4.442 -6.534 -13.419 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -5.449 0.223 0.057 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 1.548 -6.369 2.943 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 -6.472 12.307 6.946 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 4.571 -2.343 -5.186 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -4.778 -16.846 -8.254 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 13.085 2.623 -15.989 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 5.629 -2.816 3.510 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 0.629 -3.454 0.863 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 -4.490 -10.700 -4.097 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 1.832 -0.157 4.599 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 6.568 9.660 1.380 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -17.443 14.348 -6.740 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -1.454 -8.934 1.800 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 12.249 -2.891 3.795 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -2.287 -3.372 3.965 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 1.679 -0.434 -4.282 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 -11.515 -1.149 6.218 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 -3.149 -10.871 -18.671 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 0.496 2.645 0.714 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 10.562 4.413 9.152 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 4.718 9.065 16.846 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 4.212 2.444 -1.539 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 0.564 -18.052 -11.285 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 15.859 9.988 -20.308 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 -4.589 1.887 -5.625 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 0.438 29.683 11.893 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 17.502 -10.913 6.580 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 -0.611 -2.383 4.825 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 -13.420 16.235 15.694 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -5.469 1.739 9.051 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -3.655 0.620 2.821 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -4.984 1.967 1.664 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -31.597 32.506 3.737 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -1.114 -5.335 2.037 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 8.233 -0.392 5.740 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 -12.150 -2.309 14.222 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -1.608 -0.551 -6.693 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 -14.521 6.252 9.483 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 0.252 -5.080 -9.294 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 -9.351 2.483 -1.887 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 -27.683 6.515 -3.170 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 12.629 -2.709 -7.898 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -1.733 -0.583 0.072 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 -6.015 12.922 2.920 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -1.711 2.936 -1.760 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 5.615 -6.970 2.093 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 6.806 2.179 12.422 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 -18.702 -4.581 -7.384 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 4.420 -2.659 5.779 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 2.964 20.903 4.695 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 7.220 -10.239 -16.239 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 2.950 0.923 0.279 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 1.966 -3.541 -11.497 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 1.631 -24.656 -22.532 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 3.837 -0.755 -0.074 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -0.171 9.300 1.260 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 12.810 -8.585 -16.415 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -0.640 6.483 4.389 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 -1.457 13.667 4.878 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -9.833 7.479 -2.985 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 3.025 -0.899 -2.145 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 20.380 -16.224 11.250 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -11.354 -8.034 -19.142 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -1.803 7.324 0.355 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 4.054 -2.426 11.342 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 3.174 2.039 -13.731 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -2.735 -1.127 2.287 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 14.671 -14.471 -5.964 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 -8.575 -19.217 16.931 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 4.146 -5.143 -8.762 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -5.848 9.449 -0.125 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 2.379 5.977 -3.464 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -4.772 3.984 -2.695 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -12.196 6.699 31.529 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 -29.777 -37.060 -22.159 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -5.225 -8.501 -4.583 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -14.519 -2.339 17.991 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -9.365 -0.226 25.810 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 -3.384 -0.141 -2.053 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -21.042 15.081 -3.693 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 10.838 20.853 -5.499 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 4.553 0.814 -1.923 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 4.792 -3.712 -12.980 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 -23.551 7.631 -23.974 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 -5.309 -0.387 1.045 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -9.259 7.054 10.329 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 3.019 14.909 7.160 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 0.515 0.586 5.389 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -12.471 -20.234 32.095 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 6.829 8.800 -5.358 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 -4.956 0.569 -1.825 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 -1.089 -0.276 1.016 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 5.930 -0.518 1.319 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -0.049 -2.045 -1.849 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 13.960 3.428 -17.532 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 9.146 14.980 6.175 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -0.722 3.113 0.770 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -5.085 24.230 -7.636 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 4.917 -6.673 1.616 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 -2.036 7.640 3.311 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 0.505 18.808 28.078 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 16.454 19.482 -17.226 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 5.926 5.509 2.427 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -6.319 5.046 9.903 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 -11.959 6.698 -28.949 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 -10.722 -1.407 0.885 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 28.623 13.096 -17.636 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 11.157 6.398 -10.079 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 7.438 -1.718 0.619 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 3.626 0.330 -18.003 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 -0.598 -6.095 -10.514 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 -1.003 1.906 3.540 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -30.067 -11.717 -18.529 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 2.370 3.565 5.378 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -4.629 -3.106 2.640 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 3.610 -24.922 9.976 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -16.777 8.067 -5.241 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 -3.201 0.475 -0.259 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 12.858 -9.255 9.435 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 3.903 0.589 -4.210 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 0.922 -2.496 11.413 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 15.214 27.007 -16.470 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 -16.041 -0.025 7.419 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 6.417 4.627 0.749 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 -11.483 15.220 -14.596 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 8.204 6.537 1.331 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -1.115 1.676 3.507 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 4.296 6.100 10.247 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 0.199 -10.937 2.087 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -1.310 -8.296 5.446 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 -2.593 -11.185 5.499 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 10.691 9.861 13.437 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 2.090 2.412 5.743 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -0.513 8.285 17.783 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 1.795 13.216 -3.349 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 2.888 -4.090 -7.227 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 12.337 0.617 7.541 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -0.407 8.813 -10.379 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 5.637 -5.414 -8.437 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 19.082 6.665 -24.646 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 5.393 -25.981 -11.773 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 0.140 -1.150 -3.897 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 2.989 1.719 1.716 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 -14.988 -6.681 -13.132 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 0.035 3.069 0.007 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -3.060 0.785 6.337 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 9.049 3.645 5.281 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 -6.478 9.281 8.042 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 23.759 -1.555 -9.108 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -12.112 2.115 8.889 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 -4.347 2.328 4.303 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 -12.056 0.398 -5.470 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 6.609 -5.532 1.456 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -1.752 2.894 -2.432 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 10.517 10.830 -2.443 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 3.217 20.473 -11.021 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 -0.137 -0.818 -7.071 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 0.400 -6.221 -3.128 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 1.458 -8.499 -5.449 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -1.878 0.734 -0.133 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 -8.654 -18.778 -13.081 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -14.294 -37.507 -17.003 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 1.249 7.118 -0.201 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -0.252 31.445 8.514 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 -1.391 -2.568 -0.790 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -10.332 -2.250 4.955 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -6.990 -15.334 13.835 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 5.187 -8.727 -12.127 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 0.360 -5.025 -1.073 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 10.146 0.087 14.438 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -4.837 3.167 10.711 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -2.832 -3.306 0.972 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 16.758 -2.175 1.599 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 -5.426 -5.740 10.075 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 0.739 5.107 0.257 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 -4.387 0.589 -10.699 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 -31.578 -5.393 -7.909 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -1.866 0.106 0.016 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 5.032 -17.702 -2.972 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 5.848 9.197 -10.916 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 4.359 -1.571 0.909 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 17.222 -22.697 22.454 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 0.962 1.340 -7.275 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 -3.673 -5.083 2.235 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -3.799 -32.539 28.564 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 -17.242 15.285 5.148 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 -5.194 3.451 5.283 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 11.216 13.550 -2.280 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -7.615 2.279 3.409 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -1.848 -5.102 -2.525 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 -2.012 -7.262 -2.216 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 -20.287 -15.593 7.324 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 -1.817 2.684 7.500 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 -8.511 6.787 11.661 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 -1.524 -7.635 13.159 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -1.168 -0.694 -3.723 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 24.028 13.301 7.394 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -1.678 -0.158 0.303 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 -2.309 3.223 0.135 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -9.153 8.485 -12.192 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 0.808 5.286 9.675 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 -6.552 -3.585 -4.097 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -2.580 -6.583 10.959 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 -21.157 5.235 -0.320 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 8.662 0.879 1.181 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 8.154 -1.377 -11.305 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 16.339 34.673 16.193 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 5.008 5.565 -0.089 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 -1.726 11.033 2.989 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 4.319 5.298 -5.106 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 6.337 1.912 -2.883 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 5.420 -3.701 -3.074 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 1.328 -13.478 5.015 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 -3.608 -6.849 -2.295 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 1.049 32.926 -13.220 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 0.657 14.849 -13.819 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 -5.557 1.586 -2.366 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 1.936 4.279 0.764 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 9.260 12.706 2.757 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 1.858 6.326 5.683 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 8.766 5.070 7.410 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 0.830 1.534 -0.072 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 5.595 -0.506 2.194 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 7.210 -9.306 14.002 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 12.134 13.079 8.783 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 3.349 5.633 6.835 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 -11.232 14.326 8.403 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 11.831 -18.252 19.009 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 -6.632 4.520 -0.386 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 -21.075 -3.979 8.984 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -9.733 1.817 1.242 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -2.482 -1.216 -5.482 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -0.434 36.606 13.112 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -4.782 -19.802 -15.010 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 2.401 4.599 7.924 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -1.672 4.821 16.327 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 -7.503 -15.469 0.341 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 -2.458 -0.922 -1.960 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 20.520 -15.401 5.706 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 6.478 13.323 -23.788 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 4.852 1.020 3.368 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 3.704 -1.510 -11.798 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 13.681 -6.053 5.314 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 -2.706 4.151 -1.483 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -3.637 8.133 -6.569 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 -21.738 14.891 16.246 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 6.770 1.221 -0.271 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 11.390 -6.504 7.496 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 -6.879 28.745 -17.727 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -5.919 2.954 -1.189 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 -8.052 1.788 -2.865 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 14.875 5.162 21.448 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 -5.501 -4.854 4.879 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 -9.048 -16.130 27.129 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 -7.955 -7.996 7.623 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -1.478 -2.243 -8.830 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 -5.925 -16.373 -10.465 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 7.182 11.947 4.614 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 -10.612 -0.208 0.717 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 -17.986 5.756 -20.252 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 9.008 -11.477 -1.054 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 3.314 0.134 3.315 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 -18.968 23.294 28.669 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 13.261 -10.955 -8.180 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 1.132 -2.180 6.535 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 3.943 -16.775 18.667 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 7.510 1.689 8.754 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -1.705 -0.136 -4.835 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 14.939 -15.065 -0.283 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 14.286 11.925 8.067 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -0.939 4.792 0.376 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 29.981 -18.444 5.876 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 6.066 24.434 2.293 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 -3.534 -2.319 5.486 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 11.977 0.910 -4.802 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 -12.528 -17.910 -3.825 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 1.085 -4.290 3.113 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 -7.911 -2.890 16.481 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 -9.190 -6.427 -9.006 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -2.046 0.038 -2.285 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -7.725 41.008 -21.159 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -6.932 24.361 2.906 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 4.394 1.934 -2.451 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -3.047 8.241 -14.840 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 4.137 0.948 -3.470 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 7.895 0.870 -1.466 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 5.319 -2.999 8.121 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 1.747 19.331 11.621 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -2.180 1.296 -1.988 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -2.568 -0.272 -2.352 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 2.315 -3.628 -7.564 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -1.368 -6.660 6.620 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 19.218 -13.885 4.505 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 11.297 1.894 -22.082 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 0.669 6.329 -0.971 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 13.712 -5.870 -3.667 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 -0.111 -6.698 20.492 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 -2.028 1.706 -8.551 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 -8.785 1.412 -17.704 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 6.513 0.308 -3.468 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 -0.056 0.799 1.446 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 5.933 15.231 5.941 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -10.437 14.453 24.689 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 2.302 -9.968 -1.514 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 -4.497 -16.454 -4.457 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 13.122 1.039 -0.069 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 2.401 4.516 -0.129 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 13.178 11.521 0.649 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -1.723 15.626 10.909 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 9.102 0.876 3.718 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 2.596 3.643 3.640 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -8.088 -4.626 10.471 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 2.291 3.594 1.597 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 12.475 23.005 20.099 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 42.138 5.689 -18.637 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -0.019 5.802 2.228 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 19.453 -26.679 13.680 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 -14.124 -16.430 6.584 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -3.080 -3.718 -7.631 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -5.602 10.372 -7.186 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 -12.314 -6.249 -2.746 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -0.569 3.631 2.302 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 16.371 -4.506 -5.595 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 -8.276 -0.479 -14.375 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -2.959 -1.186 1.048 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -3.320 13.864 -2.557 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -11.429 -2.308 16.480 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 2.976 1.339 -2.182 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 -2.622 -12.317 8.367 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 11.467 -1.693 -9.995 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 2.083 0.213 0.360 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 12.586 2.079 9.531 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 26.898 4.375 -0.869 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 -1.666 3.152 -3.230 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 18.990 -12.170 -4.001 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -13.136 16.170 16.356 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 0.321 2.559 1.040 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -5.781 1.156 -4.443 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 11.010 -26.230 7.104 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 4.762 -3.416 1.634 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 -9.394 -16.224 4.250 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 8.353 17.173 -5.697 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 -1.698 2.485 -8.163 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -3.294 3.722 -9.692 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 -9.092 -1.704 8.355 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 -3.798 -0.301 7.038 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 -2.838 0.460 6.372 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 -2.649 -23.065 -0.408 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -6.030 -1.526 -1.525 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 -2.397 -11.714 -28.646 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -3.131 -1.670 3.294 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -6.945 4.789 -0.687 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -36.525 1.822 5.822 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 -14.624 9.968 6.722 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 6.840 0.492 -11.358 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 11.878 3.859 -3.099 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 2.003 -10.223 -6.716 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 7.041 2.146 4.235 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 16.054 15.023 -20.355 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 -10.139 -6.809 -3.710 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 -1.000 4.506 3.033 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 -19.390 -4.712 -2.304 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 15.896 7.648 -3.314 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 2.682 -0.304 -7.707 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 -14.444 -12.311 -6.295 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 8.053 -0.171 -9.003 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 -5.588 -4.169 -6.412 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 3.169 -0.286 3.076 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 11.973 -20.121 23.582 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -4.596 3.753 6.039 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 11.691 -33.724 13.450 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 4.598 7.987 4.728 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -6.123 0.942 2.604 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 7.015 3.380 6.352 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 -22.061 22.839 -6.678 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 3.114 3.264 -2.276 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 2.446 7.707 0.757 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 6.939 -12.260 -10.629 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -0.420 2.819 -2.530 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 -14.886 23.938 18.674 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -10.817 15.424 11.692 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 4.988 -2.181 0.130 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -3.313 15.385 -20.120 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 5.767 -12.591 -8.121 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 4.881 0.469 4.690 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 -10.714 -23.198 -15.881 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 4.175 -35.161 9.070 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -3.008 -1.458 -1.065 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -5.309 16.519 6.199 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 5.736 21.769 13.344 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 -1.399 -1.819 4.924 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 3.414 -1.506 29.696 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 4.313 -12.263 7.558 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 1.696 -0.382 -7.234 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 6.781 -7.075 -15.793 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 3.487 -13.217 -2.292 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 0.108 -2.891 0.244 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 10.197 -24.015 10.128 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 -4.684 0.058 -1.091 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 -6.673 3.377 -1.799 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 2.580 -18.837 8.495 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 23.599 8.626 2.306 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -0.914 2.721 0.086 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 -11.381 2.347 -3.223 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -6.174 10.495 20.105 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 -6.344 4.190 -0.813 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 -13.880 1.305 -5.454 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -5.488 -22.324 -12.850 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 0.308 0.211 -0.498 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 -4.134 9.045 6.328 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 7.759 -12.999 -7.637 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -5.030 1.808 0.563 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 15.007 -9.444 13.631 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 -19.931 24.146 -3.321 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 3.640 -0.781 4.593 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 13.591 -5.479 24.492 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 -16.676 23.034 -2.097 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 -0.134 4.380 -3.126 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 7.472 16.431 -7.127 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 -4.626 -0.552 8.761 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 4.857 -2.687 1.908 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 -3.335 8.664 8.612 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 15.019 -10.800 -3.688 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -6.233 6.730 6.281 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 -11.490 -6.768 7.582 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 -8.488 2.347 7.098 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -0.659 1.668 -1.011 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 -15.807 -17.482 5.423 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -0.694 13.370 20.884 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 5.021 3.312 0.257 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 0.873 8.610 -5.841 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 33.693 -13.529 21.916 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 0.843 2.323 -2.037 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -1.196 5.680 1.258 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 -3.814 6.478 -9.823 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 -3.730 2.820 -3.167 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -19.701 -20.873 -16.414 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 12.081 2.749 8.088 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -0.453 0.191 2.818 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -4.604 -4.418 -7.247 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 19.911 -1.073 9.586 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 4.676 -4.973 8.055 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 -13.142 -9.654 11.369 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -19.235 -11.948 13.424 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -0.232 0.894 -2.788 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 12.950 -6.641 30.000 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 -14.212 9.193 -28.677 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 -1.282 4.743 0.487 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -7.589 -3.594 11.640 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 9.361 -9.280 -9.757 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 -5.198 -3.209 -6.204 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 9.544 -2.005 5.533 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 1.969 3.950 -18.672 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 0.076 -4.735 -6.878 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 -4.624 -7.186 -16.093 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 0.087 -7.152 -1.595 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 2.783 -3.166 5.175 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -12.993 -9.403 9.482 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -0.255 -12.711 2.760 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -11.332 1.030 -4.721 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 -14.833 3.299 -10.444 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -4.663 2.049 10.970 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 2.173 -5.033 -2.517 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -2.671 -12.077 -17.395 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 -4.216 21.518 -5.569 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 -2.396 -4.426 -0.070 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 -20.416 -6.388 -2.938 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 0.451 -11.012 9.417 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -7.150 -3.513 -1.991 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 9.408 2.891 -27.883 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 -9.286 -3.277 -2.431 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 -1.481 -5.282 1.417 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -16.301 -11.398 19.971 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 12.621 13.334 -7.684 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 1.338 -2.223 2.453 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 -11.593 -4.740 -0.610 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 5.717 18.345 3.267 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 0.946 -8.097 -3.240 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 22.993 -1.736 -8.223 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 3.933 -20.935 5.434 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 1.868 2.077 5.361 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -5.578 -3.998 -3.518 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 -11.985 -25.616 -2.369 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 2.771 6.228 6.261 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -8.643 4.909 8.092 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 5.290 -0.475 11.946 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -2.221 1.403 -1.005 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 8.749 -4.538 1.219 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -3.079 -5.831 -7.490 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 0.270 -0.719 0.815 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 11.261 -1.072 0.802 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 -4.338 3.974 -0.246 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -0.412 1.101 -3.319 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 -7.579 -0.573 2.962 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 17.896 26.959 -17.884 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 2.039 -0.079 1.055 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -6.926 5.545 2.752 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 10.867 5.287 -16.119 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 -4.274 -0.063 -3.199 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -10.008 -1.700 8.678 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 1.347 11.487 9.075 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -0.160 -7.770 -4.838 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 3.638 -9.399 -5.082 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 -21.912 5.236 34.126 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 0.889 1.667 1.053 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 10.925 3.166 5.468 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 -8.829 11.348 6.383 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -2.357 0.293 6.883 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -9.052 11.175 3.650 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 -16.350 12.822 -2.539 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -3.047 -3.903 -0.889 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 -1.741 -8.918 4.289 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 -3.043 -1.818 -2.211 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 0.046 0.815 -5.968 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -7.751 -9.761 -9.778 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 10.271 -4.523 -4.059 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -3.767 -0.144 1.877 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -0.884 19.252 5.663 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 -10.084 -29.200 16.219 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -0.836 0.375 -0.724 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 0.986 6.600 -4.707 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 -0.368 13.740 -13.267 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -4.883 1.168 -6.667 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -3.308 -15.681 13.397 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -8.630 7.209 -10.346 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 3.722 1.735 5.917 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -4.166 3.310 6.753 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 -23.993 -3.760 0.608 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 -0.192 0.277 -0.489 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 -11.033 20.997 7.420 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 4.430 -7.488 -3.702 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 2.029 2.197 -1.449 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 -14.068 -11.112 -0.253 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 0.807 13.644 16.991 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 -2.829 -2.724 -6.397 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 3.020 4.931 -19.479 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 3.557 -6.628 9.465 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -3.062 0.508 1.832 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 -11.978 -7.691 16.596 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -17.189 1.993 -1.803 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.472 1.193 -3.227 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 14.863 1.036 1.935 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 -27.374 -4.195 -11.517 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -6.389 -2.179 1.878 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 15.257 6.541 18.240 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -36.015 4.047 8.636 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 2.354 -5.912 5.670 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 33.904 2.394 9.922 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -13.600 21.996 0.732 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 1.694 4.120 -6.201 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 2.261 5.308 -21.224 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 -10.288 -5.320 4.813 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 3.995 1.307 1.220 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 7.740 5.607 4.575 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 0.539 -8.662 -12.036 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 -0.470 7.021 6.373 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 22.514 -5.797 22.530 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 8.657 -0.626 14.047 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 3.250 1.775 6.498 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 4.183 -15.247 35.375 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 1.665 15.880 -16.396 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 0.603 -0.039 3.904 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 1.886 3.019 1.550 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 3.623 1.580 5.866 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -3.243 5.396 -1.478 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 3.202 11.889 -21.294 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 1.072 4.787 -0.273 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 1.576 1.097 -0.628 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 4.329 8.075 -11.494 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -9.837 -2.293 -16.221 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 1.082 -0.711 0.494 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 16.807 14.814 1.388 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -14.060 -14.529 0.707 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -2.245 -0.496 -5.453 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -2.376 4.393 -12.659 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 -4.630 -3.234 5.426 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 2.800 -0.140 3.384 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -1.882 0.046 17.988 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 -9.412 4.506 -8.152 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 -6.507 1.198 -2.397 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 25.690 8.122 42.849 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 -14.496 -10.900 -19.999 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 -4.134 0.450 0.324 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 -7.356 -3.923 14.973 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 -18.943 -4.140 -25.839 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 -5.263 0.448 1.583 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 -6.087 3.916 9.173 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 7.599 -4.802 -8.782 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -1.199 -1.546 -4.290 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 -10.486 12.588 -7.369 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 21.610 15.888 2.987 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 1.646 -0.127 2.192 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 -10.729 18.013 14.163 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 -26.594 2.410 -0.480 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 0.256 -2.554 -2.968 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -11.887 -4.663 -2.831 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 6.565 0.607 5.939 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 0.018 -4.535 3.451 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 1.675 6.038 1.380 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 15.232 -7.671 2.996 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 4.930 -2.619 -5.779 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 -3.126 -10.159 -10.543 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -25.331 -5.395 3.165 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 2.510 3.293 -0.578 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -2.517 3.278 6.154 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 2.209 13.347 -8.409 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -0.043 3.181 -3.514 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 11.223 7.842 15.500 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 8.103 -17.614 -3.466 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 -0.778 -0.312 4.566 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 5.700 -11.754 -2.310 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 11.169 6.332 12.114 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 -1.388 -0.155 -0.745 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 6.883 9.907 -15.123 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 1.820 -2.013 9.332 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -1.809 -7.599 1.814 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -0.492 -9.638 7.362 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 2.170 -9.067 2.494 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -4.090 -7.844 -0.515 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 0.622 7.563 -26.429 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -16.553 3.971 9.557 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 5.424 3.260 4.506 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 -13.590 -1.242 -3.079 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 7.948 -9.594 8.508 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -8.730 2.511 1.621 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -11.710 9.558 17.496 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -6.792 2.890 -5.834 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 7.962 -1.557 5.620 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 29.425 -1.585 -5.280 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 28.847 12.038 -3.582 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 -5.468 -6.052 -1.354 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -1.978 -0.264 -9.336 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 1.987 -2.647 7.609 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 6.169 2.777 -4.142 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -7.161 -4.992 5.400 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 1.497 -0.095 6.247 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -3.960 0.442 0.957 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -4.283 -25.857 14.558 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 -3.825 -27.014 16.711 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -5.851 -3.071 4.934 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 5.878 -17.487 -24.029 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -8.680 6.827 23.221 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 1.727 -4.231 -2.061 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 8.061 -2.277 -2.922 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 13.518 3.733 -4.183 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 4.805 2.618 0.525 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -8.182 -1.725 16.452 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 16.915 18.530 4.137 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 1.372 3.855 0.761 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 -1.042 3.573 9.059 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 -4.581 12.668 -4.754 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 1.895 -2.931 4.321 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -7.669 5.389 7.765 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 6.039 5.082 10.950 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 1.631 -5.756 -2.695 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 11.287 0.817 12.085 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 -2.846 4.892 -27.251 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 0.205 -0.264 7.723 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 19.138 12.743 -2.191 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -8.525 -6.123 7.454 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -3.084 1.233 2.130 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 -3.085 23.635 -0.377 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 -10.257 6.630 5.771 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 -0.692 -7.702 -7.268 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -5.952 -6.954 2.360 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 -12.634 -24.516 10.084 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 1.700 -3.080 -2.889 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -0.900 -9.137 -3.108 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 4.080 -0.547 -7.785 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 2.413 4.595 -4.932 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -4.075 -6.322 -0.582 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 1.234 -17.013 5.310 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -9.408 -0.879 -0.757 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 -28.143 -11.864 9.976 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 -30.758 -10.259 -0.512 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 2.471 -2.296 6.107 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 7.065 -13.021 -3.880 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 6.651 13.997 -18.416 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 -3.683 -1.228 0.384 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 -5.428 -3.979 -29.831 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 -7.043 -26.082 23.306 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -2.265 -2.480 -2.565 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 11.488 2.107 -20.499 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -10.617 -6.214 12.496 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 -5.154 0.561 0.003 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -2.478 10.218 -7.082 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 -6.530 7.360 -4.509 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 5.558 -1.868 -5.081 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -2.097 -3.549 -12.962 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 8.471 2.942 -10.460 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 -4.156 -1.129 -7.691 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 12.031 11.405 -2.493 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 -3.723 -0.935 -8.446 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 9.908 -6.717 3.173 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 5.382 0.347 7.122 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 1.104 -2.823 17.239 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 1.586 -6.077 1.842 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -15.607 7.770 3.147 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 1.615 -27.361 0.519 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 0.141 -2.852 4.322 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 1.658 -0.235 0.612 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 -5.054 -1.121 5.195 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 8.671 -4.792 -0.257 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -4.023 43.474 -6.365 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 8.537 -17.720 -5.089 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 -9.198 2.203 2.998 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 -6.118 -19.546 2.021 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 -1.528 -0.810 -2.768 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -0.442 -0.227 4.044 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 16.907 0.814 4.689 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -1.910 0.081 16.903 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 -3.100 -3.820 2.796 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -3.494 6.789 -6.445 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 -16.479 -30.200 11.227 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 0.921 1.548 -1.605 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 19.144 4.245 -13.109 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 -8.166 1.130 16.758 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 1.709 4.277 5.333 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -5.722 10.099 2.477 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -6.828 11.081 9.363 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 3.699 0.244 -2.442 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 1.855 -14.373 -1.310 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -11.175 -36.195 11.563 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 8.110 4.675 -6.650 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 -8.817 -4.391 -9.453 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 6.521 -3.119 0.416 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 0.794 1.338 -1.859 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -6.064 -12.140 -1.728 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 3.658 -14.501 -3.653 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 -4.983 1.763 0.920 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 3.144 -2.790 -4.271 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 0.342 -6.131 -0.856 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 -2.700 2.148 0.436 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -20.521 0.819 -11.232 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 2.314 0.029 6.004 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 -7.462 2.647 4.768 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 6.127 26.066 0.945 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 -1.016 1.628 5.152 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -0.199 2.705 7.319 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 -31.410 -26.461 10.807 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 -0.276 14.380 -33.372 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -3.650 0.923 1.745 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 1.870 6.068 -0.406 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -0.816 -2.752 6.339 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 2.957 1.224 -2.427 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 9.391 -1.135 -6.863 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 20.311 -0.734 -11.472 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 1.644 7.450 -5.394 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -11.197 5.847 7.571 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 -2.381 16.684 14.387 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -0.610 -0.990 1.849 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -7.155 10.739 -4.679 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 2.140 -7.046 -11.897 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 6.893 3.540 -4.185 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 9.290 16.541 -7.877 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 6.584 1.617 -6.033 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 -5.415 6.398 2.153 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -25.357 -30.865 -17.032 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -8.906 -1.017 -8.633 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 0.270 -2.230 3.336 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -12.990 1.633 -9.841 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 -9.045 -8.165 -1.878 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 0.835 3.082 -2.741 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 5.086 1.028 -12.490 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 10.367 7.469 -13.076 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 2.322 -1.391 -0.304 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 15.282 7.545 -10.665 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 13.943 -10.194 0.832 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 -4.286 -3.794 4.703 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -2.424 -4.511 11.819 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 11.816 -12.134 18.578 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 5.487 8.833 1.731 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 22.255 19.101 10.060 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -19.928 -4.740 0.438 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 2.914 1.158 -6.729 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 -3.296 -0.928 17.869 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 0.344 -10.273 2.865 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 2.035 -8.667 -1.013 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 0.050 -7.061 -10.498 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 8.855 -15.560 15.639 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 2.522 -0.305 6.216 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -8.236 6.091 -8.169 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 2.607 0.244 6.553 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 6.642 -5.352 -4.541 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 6.545 -18.407 0.669 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 -1.944 -3.691 -19.554 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 2.221 6.241 -0.912 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 -13.810 7.435 4.703 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 2.392 -2.116 -12.274 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 1.123 -4.030 -5.404 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 37.127 16.916 -19.047 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 20.156 -10.113 -5.448 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 1.708 -1.969 6.962 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 1.415 9.301 -10.918 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 6.928 8.747 25.958 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 -2.657 -5.205 -4.126 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 14.244 10.903 8.969 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 -26.256 -6.811 -4.961 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 -1.333 -0.903 6.777 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 12.485 18.604 24.327 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 6.351 5.452 -19.586 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 -8.100 -2.072 -4.351 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 0.041 2.799 -10.588 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 1.898 2.524 1.042 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 7.479 -0.142 1.844 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 6.304 -1.782 3.004 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -9.992 -20.901 2.505 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 1.335 -5.265 0.738 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 8.313 -4.476 -3.574 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 8.642 -3.269 -4.641 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 0.999 -4.119 2.343 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 11.657 5.364 -5.849 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 12.185 -8.619 18.031 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 0.931 2.906 -3.937 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -10.446 3.364 -10.326 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 3.658 4.827 -2.655 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 -1.863 7.643 5.206 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 12.002 -1.139 8.535 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 5.569 -1.321 6.769 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 -0.232 6.849 -2.584 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 -2.896 7.797 -0.861 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 18.140 -0.103 -13.256 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -3.965 -1.486 3.849 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 1.910 2.758 -2.240 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 -19.070 17.278 -26.284 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -1.274 -0.695 0.534 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 21.349 -9.350 -18.266 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 -28.574 5.572 -27.012 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 0.539 -1.838 -0.526 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 -9.606 -11.389 -33.271 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 -16.879 -33.250 13.761 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 -1.675 -5.748 -1.079 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 8.677 -9.312 -10.543 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 -10.175 -0.390 10.111 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -0.249 3.179 3.616 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 5.065 18.789 -0.948 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 1.554 7.877 2.292 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 6.186 3.618 1.637 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -0.101 -16.730 13.240 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 16.740 -0.632 26.046 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 -7.257 -2.622 0.327 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -5.075 6.365 -15.081 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 -3.946 2.307 -7.527 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 5.140 2.928 4.438 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 7.642 7.350 -13.744 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 3.795 0.592 17.700 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 -1.046 -0.938 5.815 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 39.890 1.871 -17.119 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 -13.200 -0.927 -5.508 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 1.621 0.970 2.505 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 9.593 -3.408 -3.467 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 13.400 16.641 -1.240 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -4.931 3.545 -5.478 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 5.424 -6.977 -20.521 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -8.528 4.312 2.613 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -9.909 3.913 -4.382 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -18.145 7.101 11.703 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -6.369 6.745 -14.495 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -4.389 0.242 -2.444 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 6.771 -19.220 6.140 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 -9.111 8.170 -0.459 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 5.921 0.812 -2.951 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -3.750 12.918 -5.750 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -24.166 -0.577 -8.330 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 -0.928 -5.956 -0.587 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 13.641 18.529 -11.823 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 7.342 -9.212 26.560 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -0.257 -5.616 0.226 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 -2.869 -10.928 -4.578 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 1.019 0.692 -4.611 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 0.499 -2.414 -4.118 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 -0.813 18.495 -5.249 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -7.501 -18.557 -2.924 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -2.977 1.444 5.106 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -13.294 6.062 4.246 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 -4.146 3.769 -6.955 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 7.335 -3.862 -7.025 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -3.445 -0.017 -26.774 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 0.461 -23.414 -8.718 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -4.028 1.516 2.093 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 -16.045 -3.789 14.963 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 2.887 0.556 10.288 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -1.385 1.219 4.562 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -11.823 30.576 -7.904 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -32.188 -16.388 6.511 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -6.107 -0.860 0.744 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -8.357 6.913 6.203 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -3.015 4.269 -6.415 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 -2.891 1.819 -4.238 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -1.093 -1.811 -8.634 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 -2.601 2.274 -3.677 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 7.542 -4.177 -3.414 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 8.950 -1.459 5.502 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 10.598 1.426 -13.888 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -5.873 0.155 0.555 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -6.092 -3.435 9.044 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -13.617 7.495 4.871 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 3.219 -7.306 -2.608 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 9.231 0.137 -29.009 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 12.573 9.281 10.399 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 -6.300 -5.568 -0.838 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -0.936 17.058 -11.448 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 -9.760 -13.975 0.319 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 -0.470 6.119 -1.478 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 0.873 4.185 -7.420 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 6.842 -1.410 -4.769 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 8.457 -0.094 1.420 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 7.186 -20.431 -17.638 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 27.565 1.130 14.637 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 5.263 -6.452 -4.622 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 1.284 -16.590 -16.072 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 8.428 -11.036 -10.203 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 1.928 5.640 -0.284 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 2.704 13.920 -7.703 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 -8.980 6.001 3.456 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 -2.218 0.618 -2.287 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -10.542 -22.386 4.985 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 20.875 -6.641 -4.273 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 -2.841 -0.265 -2.784 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -19.851 -0.668 5.446 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 24.651 7.313 -17.633 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 10.272 -7.550 3.979 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -7.188 22.574 32.292 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 4.091 1.643 7.009 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 -0.525 2.509 -0.862 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 11.155 23.857 -9.849 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 4.000 9.710 3.609 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -3.343 -5.742 -5.900 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 -10.275 -1.047 8.871 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -32.999 7.869 18.084 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -3.732 0.310 4.332 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -3.628 -0.041 3.043 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 -3.971 -1.685 4.397 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -1.371 -4.423 -1.991 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 11.136 -5.153 -3.121 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 -14.046 13.837 6.355 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -3.213 0.883 -1.102 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 13.524 -20.651 -9.155 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 -8.734 7.119 -11.935 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 4.697 -0.435 9.942 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 27.050 20.581 7.875 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 -2.025 -9.796 11.352 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 4.941 3.960 -1.339 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -22.797 22.323 17.804 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 6.051 -0.156 -4.207 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 0.126 2.625 -1.984 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 6.804 -1.111 -7.228 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 12.927 -6.226 -7.291 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 -5.579 -0.979 -3.864 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 -4.370 1.910 -15.419 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 -16.626 6.804 -0.249 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -5.705 5.553 -0.988 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -18.695 0.326 -15.805 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -10.681 22.064 8.284 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -0.924 -9.110 1.035 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 14.335 -23.012 0.480 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -12.324 0.314 1.709 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 0.743 2.208 -1.196 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 19.386 -13.760 -20.579 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 1.686 4.233 0.242 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 6.657 -3.508 -1.826 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 5.450 0.266 21.192 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -11.392 11.532 -14.503 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 10.487 -6.529 6.203 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 25.648 7.462 3.649 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 14.838 -20.134 -0.587 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -1.102 0.479 -5.898 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 9.118 -7.345 -0.649 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 2.979 -3.513 -4.726 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 -3.230 5.560 -1.671 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -17.643 2.258 -2.770 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 6.883 3.005 -7.797 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 1.419 -11.376 -0.759 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 -11.162 -15.464 7.482 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 4.650 -33.359 31.792 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 -3.058 2.353 1.285 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 6.560 -5.791 -6.513 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 -6.763 4.987 23.610 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -5.990 -3.396 4.015 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -18.148 19.283 -18.305 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 -16.925 -14.775 -0.132 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 -1.170 0.895 11.343 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 -8.817 -6.767 21.927 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 12.663 19.271 -7.034 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -4.132 -3.311 5.876 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 12.948 -4.840 -6.679 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 0.258 -3.683 4.669 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 8.953 -1.962 3.973 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 8.312 -9.389 13.738 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 11.213 -2.817 -0.101 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 3.768 -2.270 0.444 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 -8.279 18.300 5.849 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -19.698 9.954 -2.014 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 0.243 6.985 1.642 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 -14.642 -9.405 -0.546 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -11.181 4.024 11.989 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 5.380 1.814 -5.070 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 9.929 -1.543 4.090 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 -19.701 11.227 2.371 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 5.020 -0.183 4.420 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -5.583 -0.700 0.342 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 11.898 -1.679 6.515 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 -4.583 -1.822 0.073 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 -12.923 -9.304 15.336 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 -17.519 1.892 -9.682 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 2.507 -0.620 -4.503 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -19.446 -11.110 0.093 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 21.507 -13.850 2.665 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -3.073 -9.426 -0.527 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 22.455 -21.756 -3.028 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 3.904 15.066 7.921 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 4.489 -2.222 4.622 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 -30.089 -10.758 8.342 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 19.990 6.940 3.176 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 -0.995 4.315 -1.178 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 -7.225 21.424 6.179 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 8.652 -22.376 -6.730 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 7.124 8.886 4.342 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 0.543 5.241 5.203 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -2.382 -14.024 -6.594 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 -5.699 -0.305 -4.904 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 -14.013 -0.018 0.558 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -2.655 -8.907 -6.687 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 2.045 -2.629 -3.522 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 14.574 12.076 8.005 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 10.979 6.815 7.081 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 1.452 -6.867 -4.197 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 8.544 -1.292 -3.541 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -3.506 -6.916 2.712 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 0.004 2.737 0.610 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -8.705 34.763 20.442 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -0.140 5.024 5.163 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 1.764 3.392 -0.387 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 -1.243 -2.002 0.587 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 -7.175 4.341 -10.349 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 -2.159 0.021 -3.225 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -6.996 14.622 2.310 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 1.890 10.834 -13.249 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -9.156 -1.566 -2.536 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 7.801 7.533 -3.251 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -18.083 3.581 14.084 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 -0.581 -3.608 -2.018 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 2.059 -2.650 -6.814 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 1.677 -1.983 -10.009 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 1.145 1.255 1.447 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 5.421 7.850 3.599 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -1.591 -3.690 3.145 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 3.783 -2.347 -2.631 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -2.254 9.512 -5.654 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 3.721 2.161 3.011 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 -5.554 1.354 -0.939 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 14.582 15.462 6.205 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -7.130 -10.021 -20.036 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 2.565 -0.504 -0.695 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -23.911 -14.083 18.348 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 4.559 33.651 3.044 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 4.406 -1.266 0.681 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 11.311 15.895 7.391 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -1.037 -3.793 -2.938 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 3.402 1.061 0.217 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 6.027 -2.153 -9.724 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 -8.402 0.448 -8.499 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 -2.842 4.831 -1.747 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 -4.658 -16.992 -5.100 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 -0.839 6.736 0.012 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -5.123 -5.991 -4.399 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -14.511 -12.343 -16.505 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 11.526 19.171 21.917 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 -1.897 -7.793 -0.299 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 7.941 7.437 -5.639 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 -17.272 20.981 -15.018 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 5.258 0.282 -1.575 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 8.315 -1.176 -22.553 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -3.185 5.856 -8.977 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 4.824 -4.097 -6.420 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 2.392 -13.434 10.115 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 5.742 -2.766 -9.179 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 1.388 -1.520 -1.651 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 4.588 1.757 -7.007 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 9.896 1.539 -12.993 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 -4.959 2.465 7.640 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 27.080 -10.193 -11.799 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 6.896 -1.003 1.867 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 3.041 0.052 -2.465 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 10.771 5.684 -3.237 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 10.450 29.557 21.697 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -2.669 0.279 0.871 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 5.839 -9.011 17.276 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 19.509 -7.770 1.958 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 1.706 2.913 4.536 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 22.264 8.733 -0.414 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -9.225 1.036 6.237 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 1.283 -2.136 -0.671 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 10.746 19.922 3.258 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -23.125 4.097 13.009 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 4.986 2.541 3.257 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -4.350 -7.073 18.573 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 6.773 -8.691 1.725 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -2.902 1.933 0.472 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 3.106 11.453 2.423 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 16.101 30.511 3.193 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 0.216 8.952 -6.441 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 6.190 -1.328 19.867 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 -3.781 12.855 -17.513 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 3.010 5.192 -3.417 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -5.542 4.676 3.572 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 8.224 -4.685 22.112 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -4.256 -0.412 -3.035 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 -17.215 20.153 -9.620 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 24.939 -2.782 -11.875 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 0.015 -2.223 2.863 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 9.311 2.674 -8.103 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 8.026 -13.981 11.179 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -3.475 1.585 -3.927 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -2.684 -2.041 -15.293 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 2.741 15.064 -25.884 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 1.760 8.465 -2.637 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 3.314 9.110 10.562 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 3.338 -15.811 -9.261 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -0.880 4.513 -1.095 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 25.074 15.508 15.398 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 3.168 -2.266 22.552 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 11.798 -0.203 -6.949 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 18.982 4.469 -1.122 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 18.021 -3.150 -11.848 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 -1.171 1.114 2.229 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 8.389 0.494 3.510 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 1.348 -5.863 -2.983 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 0.582 1.314 -1.763 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 3.654 -19.571 4.037 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 6.722 3.852 -19.054 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -4.261 -1.747 2.751 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 8.655 3.315 5.401 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -10.080 -7.279 -1.740 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -0.530 2.264 10.570 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 10.395 -1.035 20.495 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 -9.864 4.359 1.609 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -1.561 -1.656 1.658 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -7.036 -5.075 26.170 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 -2.092 -7.865 6.483 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -7.656 -3.326 -1.883 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 -14.698 -4.285 1.736 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -2.773 0.693 -6.681 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 -2.096 5.891 -2.704 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -8.996 -2.377 -9.651 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 1.676 1.391 8.394 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 1.551 -0.475 2.165 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 9.312 8.012 -11.321 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 7.329 -43.653 -0.903 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -0.936 2.915 0.948 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 13.352 4.623 -2.740 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 -4.222 -7.244 13.739 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 6.420 9.302 -3.778 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 -13.738 20.672 26.246 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 1.058 9.446 -16.242 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 -6.338 2.487 0.926 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 -2.981 -6.178 3.032 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -6.046 -7.803 1.786 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 0.075 -2.968 -1.481 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -6.345 1.997 -0.520 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -5.618 4.339 2.021 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -1.300 -5.459 1.187 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -14.624 -12.666 -10.583 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 -4.124 -8.881 -2.498 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 -3.039 -2.247 -0.188 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 11.932 15.005 -6.141 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 -12.810 -8.226 -9.147 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 -2.347 -0.541 6.553 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 -22.481 6.598 25.470 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 0.985 -1.753 3.388 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 0.154 -0.678 0.556 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 -18.990 -2.696 7.930 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 0.155 14.629 -10.547 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -0.285 -4.627 2.009 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 9.940 4.498 -7.113 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -5.111 -14.109 -7.443 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 -2.235 4.997 1.310 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 -3.361 9.629 5.902 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 30.558 -8.397 -0.507 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 1.050 -0.909 3.487 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 2.197 0.786 2.965 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 1.182 -8.556 2.675 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 0.119 -9.849 2.641 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 -3.272 -4.020 4.794 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 -3.210 -5.018 -1.805 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -2.407 -1.506 2.713 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 38.387 4.175 -3.699 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 33.363 -28.511 0.534 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -2.943 -5.004 1.573 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 -17.396 -2.398 19.654 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 6.675 -5.342 4.126 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 1.303 -2.242 1.386 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 10.353 -24.028 28.170 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -5.363 -2.600 4.423 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 -5.363 0.275 -3.016 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -0.797 -12.463 -9.356 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 29.733 33.345 -28.336 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 2.450 2.772 3.367 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -22.505 -12.694 10.524 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 -33.809 -12.188 9.290 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -0.990 -7.212 -1.257 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 4.423 26.423 22.472 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -8.061 14.836 -41.949 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 -6.964 10.898 5.243 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 12.806 -0.242 9.374 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 -11.360 10.866 -2.409 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 1.763 0.384 5.149 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 1.109 4.628 9.826 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 9.173 4.313 6.388 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 -4.322 2.590 -0.804 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 8.695 24.364 -10.990 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -6.054 -14.570 16.504 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -4.270 -6.382 3.402 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 8.034 -3.441 -5.252 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 12.481 6.377 3.462 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 1.234 -1.331 8.370 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -9.912 -24.197 4.219 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 -5.540 -20.089 -11.308 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 -2.730 -6.721 -3.593 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 -3.952 2.932 14.133 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 10.982 8.137 8.010 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 3.578 5.421 -6.247 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 -4.450 -2.855 -2.799 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 22.812 -1.807 -4.431 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 -5.238 -0.460 5.459 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 -11.661 -2.684 5.324 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -13.412 -0.340 1.085 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -4.910 -1.690 2.476 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 -3.354 5.191 3.882 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -15.586 20.896 16.044 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 -0.644 1.397 -3.597 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -7.207 -21.927 -3.351 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 3.221 1.101 -26.650 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -3.846 -0.442 -0.229 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -9.602 -8.728 -0.105 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 -8.658 -4.571 12.858 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 7.247 5.268 -2.464 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 12.875 3.594 -3.206 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 10.275 -3.496 1.516 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -1.312 0.769 -1.562 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 18.590 21.534 -11.933 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 9.980 13.344 26.168 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -3.922 -4.609 4.975 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 -21.332 4.903 -22.683 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -8.106 8.455 2.819 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -5.360 -1.799 0.714 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 -2.258 -19.861 -4.775 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 1.908 -20.637 -9.450 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 4.868 4.453 7.557 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 2.561 15.987 1.869 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -1.637 -4.041 18.303 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 6.069 6.394 1.242 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 -12.297 -30.426 -8.925 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 5.731 5.827 1.884 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 1.854 5.527 -2.000 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 -2.279 0.149 -2.274 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 6.311 10.992 -6.183 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -2.297 -1.123 -1.826 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 -4.475 5.569 -2.679 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 11.159 -9.791 -7.122 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 1.758 -11.213 2.491 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 0.667 -20.593 4.351 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -6.779 -5.534 4.651 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 1.551 5.585 3.246 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 1.698 -13.224 4.014 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 -11.751 -0.705 0.993 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -0.452 -5.054 -2.341 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -10.369 -13.238 -3.034 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 31.500 14.394 10.450 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 8.795 3.082 -1.442 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 1.648 -7.097 -5.584 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 7.409 1.688 -4.700 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -1.171 1.440 -5.929 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 -2.760 1.786 -19.485 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 5.112 -9.325 1.543 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 6.119 -3.481 -4.002 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 7.549 8.132 2.355 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 1.045 -18.507 -10.357 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 -3.119 -2.664 -7.484 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 -13.526 23.309 -10.195 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 0.943 -15.205 -3.268 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 -0.970 -7.295 8.207 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 -3.115 -0.662 6.691 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 7.678 -19.137 10.305 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 2.096 -3.373 4.845 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 -0.774 -6.934 5.149 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -7.927 -0.013 18.088 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 6.271 6.530 -5.581 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 16.317 -0.395 -2.041 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 8.309 7.395 -11.284 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 5.574 0.777 -7.697 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 6.953 -8.759 12.545 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -0.170 6.497 -6.949 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 -1.767 4.004 -0.980 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -15.849 -6.235 -14.452 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 0.665 -25.254 13.974 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 -0.870 0.444 -2.815 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 0.052 14.929 -11.554 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -4.114 12.619 6.202 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 -0.625 -4.745 1.185 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -7.246 1.922 -5.868 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -1.877 -13.473 7.012 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -2.632 -2.966 0.735 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -9.269 -11.599 15.369 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 2.351 -5.226 -0.566 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 4.406 1.264 -3.535 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 -11.219 4.284 -24.794 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -10.223 8.961 -5.919 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -2.062 7.722 -0.037 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -26.737 20.240 -10.650 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -10.771 10.131 -7.383 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 6.606 -7.998 3.925 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 -6.955 -18.421 20.976 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -4.947 -11.492 14.633 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 -0.883 1.423 -3.691 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 -17.724 -0.877 2.784 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 10.798 -0.540 8.746 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 5.067 2.385 5.615 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 34.956 -10.533 0.181 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 13.701 21.283 9.115 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 -1.588 5.139 0.639 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 0.502 -34.420 -23.511 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 6.321 -22.282 -11.198 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -1.274 2.945 2.298 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 4.022 2.830 -5.871 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 -4.087 2.582 8.800 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 3.760 -0.864 4.160 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -1.125 12.005 14.420 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 -4.652 8.084 12.608 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 0.422 -2.869 1.810 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 15.151 -4.153 -6.511 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -3.238 13.067 -1.266 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 10.736 2.432 -4.955 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -6.330 3.753 7.911 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 7.214 -13.083 -7.488 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -0.805 0.756 -9.247 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 4.510 -7.048 -10.200 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 10.591 -8.653 -10.038 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 6.404 5.951 1.083 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -8.329 -2.745 8.711 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -8.658 -0.948 19.567 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -4.747 0.531 -4.099 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -10.443 -14.096 2.077 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 3.745 10.173 3.237 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 1.277 -1.520 -6.222 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 15.558 13.986 8.005 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -8.992 11.287 -4.968 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -2.187 0.654 5.537 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 -1.823 -0.559 5.175 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 3.972 2.521 8.766 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -1.578 1.739 8.287 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -1.767 5.788 23.698 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 -1.659 1.528 9.502 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 -1.070 -3.837 -5.081 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 3.026 12.957 -11.256 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 2.005 -17.196 -8.772 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -3.105 -5.195 5.828 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 -0.763 -6.993 6.688 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -2.491 3.320 0.608 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 1.239 5.029 0.851 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -16.976 29.517 3.179 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -19.504 -10.385 1.996 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 5.205 -3.350 -2.880 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 13.991 -23.152 -4.926 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -17.266 13.800 -11.710 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 0.391 5.850 0.936 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 12.453 14.326 -22.934 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -1.126 5.200 15.464 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 -3.183 -6.873 -5.643 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 2.769 4.038 0.549 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 3.162 6.437 3.960 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 -1.471 2.774 0.309 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 5.919 0.392 12.399 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 -4.338 -11.345 -0.737 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 -0.019 2.843 -1.053 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 -4.950 -1.018 -21.455 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 3.354 3.562 20.311 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -4.069 -7.260 2.657 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 0.225 -48.138 -7.333 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 -7.356 16.267 7.685 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -1.740 -2.677 1.239 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 6.932 -8.857 -8.345 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -12.617 -8.380 1.529 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 6.425 -7.324 5.194 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -2.770 -5.982 -13.707 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 9.186 -7.665 2.954 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -4.031 5.143 5.931 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 2.180 10.857 8.949 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -6.709 8.978 2.041 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -3.097 1.910 0.100 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 -13.895 2.372 6.074 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -13.131 2.648 4.051 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 -6.800 5.382 -2.752 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 0.225 10.443 -6.126 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -4.782 -2.722 -3.730 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 3.691 4.380 -1.862 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 -7.858 6.286 -1.514 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 10.724 -4.745 6.338 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -0.429 7.940 3.659 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -3.236 -1.217 3.493 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -2.610 4.491 3.865 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 6.611 -7.982 5.235 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 6.383 -4.963 7.050 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 1.849 -27.345 -18.878 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 -2.029 2.207 1.188 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 9.746 6.220 -7.656 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -14.591 -14.398 0.068 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 0.535 0.724 -3.629 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 18.195 7.852 18.724 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -9.976 15.317 9.486 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -9.225 0.137 0.643 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -1.989 2.109 3.099 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -17.367 -6.435 0.628 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 -5.130 0.972 -2.336 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -6.048 3.081 -22.943 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 9.717 -1.361 -6.468 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 -7.605 1.412 2.947 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 -4.127 0.703 -27.842 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 3.657 -4.232 -18.214 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 4.062 -0.308 -4.667 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -31.288 -12.702 -14.878 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 12.465 7.075 -13.132 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 1.155 0.681 0.037 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 9.736 0.662 16.879 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -0.452 -20.387 7.324 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -4.294 0.155 3.758 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -10.395 -8.142 0.206 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 8.781 7.925 15.260 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 1.098 11.208 -7.743 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 -7.683 -14.387 -0.702 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -26.308 -11.445 31.201 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 1.678 -0.840 1.959 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -4.947 -10.974 17.034 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 -0.002 3.868 -2.525 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 3.147 -3.101 -6.662 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -28.936 -25.123 4.541 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 7.539 -4.604 15.795 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 -0.883 7.097 -0.475 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 -11.935 8.801 16.556 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -12.794 3.056 -9.848 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 -0.510 2.649 -1.873 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 -7.883 -2.585 3.110 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 6.451 -4.854 -16.194 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -3.425 4.955 -4.709 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -6.260 -0.200 6.423 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 12.732 0.237 -8.193 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -1.253 -1.115 1.046 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -0.844 3.140 0.719 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 -3.519 1.141 3.557 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 -6.467 -3.039 -0.678 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 -0.970 -29.938 9.271 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 1.362 -16.171 1.552 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 -1.526 -2.434 -2.670 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 10.142 22.791 -3.198 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 -16.900 5.120 -1.123 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 1.769 7.776 -7.860 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -13.105 20.716 -1.112 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 0.219 7.475 -6.090 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 3.118 5.890 -8.305 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 19.024 5.621 -7.775 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 -20.999 37.400 22.618 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 -2.005 -2.328 -3.947 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 -13.197 -12.710 -8.061 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -1.780 2.224 -9.736 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 5.311 3.612 4.960 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 14.561 4.948 -3.668 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 -4.491 11.319 5.283 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 8.468 -4.927 2.171 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -0.508 -2.263 -16.456 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 0.226 25.725 19.729 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 6.629 3.411 6.021 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 1.765 -22.876 7.924 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 -7.839 9.483 -11.936 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 1.197 1.858 -4.729 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 -16.282 5.936 -12.559 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 -22.676 -13.752 -6.069 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 -1.187 -3.482 1.302 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 -10.945 -8.825 -2.197 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -9.982 17.318 -37.291 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 -1.400 -1.511 0.213 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -0.357 3.381 -0.746 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -3.258 -29.894 3.659 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -0.484 -0.505 1.973 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 4.205 -6.774 -1.081 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 -1.798 -14.168 -15.216 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 0.977 -0.196 -1.300 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -6.854 -11.825 3.737 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 16.753 21.354 -2.542 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 2.013 -5.538 5.732 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -13.968 22.583 11.420 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 -2.360 -6.756 -5.571 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -0.886 -2.757 -0.352 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 4.985 -38.855 18.080 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 1.243 -1.293 -0.435 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 0.410 4.443 -3.222 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 5.653 -6.885 4.976 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -3.666 -1.755 -16.006 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -9.081 4.964 -7.327 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -14.057 3.630 -9.511 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -8.713 0.688 -2.528 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 3.243 3.628 -6.201 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -14.563 5.325 -1.784 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 6.542 20.849 -12.157 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -1.499 -0.174 -5.729 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -8.030 7.284 -7.206 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -5.697 -0.427 -4.270 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 3.756 -6.277 -1.568 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 1.696 3.895 1.901 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 1.737 -5.729 -12.102 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -8.445 1.142 -1.361 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 10.590 17.794 -19.322 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 -42.741 10.140 -5.330 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 0.515 4.849 -2.196 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 -1.696 6.570 -2.137 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 17.280 5.899 -2.571 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 0.890 -1.834 2.166 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 2.773 -10.839 -6.583 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 18.829 -18.229 15.327 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 -1.908 0.779 -1.779 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -1.013 2.233 3.159 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 5.838 10.458 -2.600 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 2.676 4.984 4.668 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -8.883 -6.192 -19.004 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 8.316 8.467 18.987 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 2.473 8.422 0.031 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 2.376 -7.599 -7.765 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 5.363 8.165 4.943 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 3.787 4.388 3.780 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -9.592 4.098 24.757 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 7.967 -16.925 -2.055 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 1.920 2.455 -6.565 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 18.657 -0.620 -1.586 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 6.245 -12.062 1.201 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -7.995 2.233 -4.777 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 7.062 21.336 -18.571 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 8.275 19.316 -15.818 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 -1.883 2.856 4.025 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 23.275 12.543 -0.542 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 8.819 -2.885 1.794 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 0.420 -3.168 6.442 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 -3.588 -27.242 7.939 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 6.352 18.071 -11.436 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 8.667 -2.914 8.781 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 20.580 12.190 -10.369 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 7.916 -5.315 2.242 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 1.313 -8.215 -3.307 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 0.442 -7.877 -13.164 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 1.284 -14.857 -0.400 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -6.753 -4.652 -1.248 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -5.605 -6.384 -22.472 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 9.976 -12.743 7.669 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 -0.504 4.483 -4.424 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -11.678 -14.145 -14.221 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 4.576 -1.263 20.448 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 -1.669 0.860 4.992 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 19.681 -5.091 -24.795 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 16.512 -2.035 -19.440 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -0.192 2.635 0.865 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 -2.597 13.284 -4.817 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 7.980 1.433 7.292 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 -1.543 -0.044 4.462 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 -8.060 26.170 -10.063 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 -12.507 3.154 2.254 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -2.041 -2.678 2.644 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -8.894 16.441 -4.193 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -6.448 1.641 -15.347 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -1.697 2.778 0.166 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 -21.790 5.642 -14.119 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 6.406 21.935 18.848 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 -0.725 1.093 3.860 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 12.370 -42.723 -19.007 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 9.130 9.379 -5.988 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -4.141 -3.019 -0.516 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 -13.187 -14.711 26.582 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 -31.200 -25.998 1.622 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 -1.000 2.478 -4.057 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 4.111 -6.299 -19.151 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -15.858 -5.203 2.072 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 -7.987 1.294 -0.297 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 -8.379 36.820 -14.213 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 -6.912 -21.894 -10.920 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 7.867 -4.399 2.324 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 8.454 -10.268 19.990 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 20.238 3.801 -1.366 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -7.138 0.399 -0.362 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 12.290 7.704 -16.800 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -21.344 -2.303 -0.504 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 7.487 9.510 2.397 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 10.239 8.811 -7.795 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 9.304 17.785 2.067 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 4.040 -2.471 1.301 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -12.740 1.311 -5.904 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 0.824 1.455 -7.248 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 6.444 5.800 7.029 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 -1.116 11.698 3.527 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 7.426 1.224 -2.469 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 1.732 7.423 1.571 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 1.690 5.440 -1.923 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 9.946 12.153 6.159 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 2.154 5.181 7.996 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 -4.487 21.853 -4.408 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 20.615 4.610 14.311 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -5.802 4.097 4.067 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -4.983 3.678 3.320 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 -5.919 2.353 6.754 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 4.943 -2.747 1.781 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -9.706 2.831 22.396 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -13.338 -1.838 14.882 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 5.443 0.448 1.731 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 8.470 2.357 15.005 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 15.504 6.918 -4.627 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 4.825 3.547 -3.329 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -0.078 -14.192 -11.207 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 13.557 -6.941 3.024 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 0.207 0.051 2.236 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 -6.463 2.214 4.498 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 -1.752 6.965 -1.339 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 2.168 3.877 4.499 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -8.288 1.205 -1.688 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 8.930 4.334 -3.016 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 1.118 -2.868 -3.076 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 2.079 -1.831 -3.963 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 -21.327 1.632 8.755 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -2.987 0.026 -10.586 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 -14.432 -1.722 -13.070 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 17.282 9.031 -1.279 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 0.125 -0.361 2.668 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 4.680 -2.279 -11.767 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -5.787 15.752 -1.072 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 1.053 -2.923 -1.637 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 9.211 6.631 -10.455 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -5.525 6.827 -0.994 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 5.732 3.103 -3.179 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -14.779 13.333 -15.591 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 0.114 -7.325 0.066 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 -4.066 3.033 0.169 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -3.007 20.980 -11.504 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 15.236 -5.744 -2.726 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -5.257 2.100 3.600 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 -1.766 17.063 -0.926 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 -4.131 4.917 2.267 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 0.405 -3.935 0.439 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 9.974 -0.112 17.419 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -2.836 -19.023 -21.125 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 -3.049 1.016 2.912 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 -4.552 11.817 -15.174 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -2.643 -13.788 10.336 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -0.640 3.132 -2.367 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 -28.295 -6.854 4.244 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 7.849 -7.288 -8.652 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 5.976 1.257 3.126 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 13.457 3.291 6.567 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 7.161 4.442 6.415 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 1.602 4.152 -0.078 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 1.993 2.141 -8.284 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -20.554 7.490 -6.058 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -3.176 -3.822 -11.236 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 18.356 16.711 3.535 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -12.999 9.812 -14.726 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 -1.878 -0.844 0.947 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 11.019 -18.263 -6.285 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 7.310 -6.789 -5.280 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 -1.018 0.367 6.148 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 -11.569 11.302 9.323 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 1.332 0.470 7.730 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 3.663 3.180 6.944 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 -12.880 -10.537 9.608 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 -15.358 -14.695 -26.768 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 1.209 2.452 -4.179 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 9.853 23.403 12.380 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -1.714 10.274 -0.319 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 0.549 2.056 -9.480 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 -4.214 3.915 -6.635 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -6.172 -14.048 -14.665 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 0.476 1.934 -4.335 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 1.996 5.056 3.433 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -3.423 -8.076 0.774 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -2.571 -3.010 -7.270 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 -10.513 -7.918 -7.635 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 6.227 -1.434 -12.337 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 -0.426 5.055 2.232 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 17.777 -28.206 -1.362 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 -25.454 -6.116 -13.413 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 -1.974 -0.650 4.298 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 -2.128 -0.946 4.211 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 13.851 -11.211 -17.542 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -2.662 1.590 0.236 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -4.910 18.790 -5.915 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 -12.710 20.265 -4.091 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 -1.588 5.061 -5.777 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 -4.223 11.215 -5.511 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 -4.984 -0.273 15.195 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 1.771 10.225 -6.318 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 1.009 27.099 -1.332 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 -2.909 5.499 -18.806 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 -3.040 -3.433 -0.546 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 -30.910 13.596 21.398 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 3.686 -9.631 0.111 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 0.489 -5.471 0.162 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -24.318 -2.802 8.391 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 4.263 -10.424 11.307 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -3.652 -3.623 -4.711 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 -11.894 6.765 18.687 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 11.724 -15.016 -35.968 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 1.494 -7.170 -3.716 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 4.964 -15.561 24.787 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 31.704 -16.728 25.157 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 -2.158 -4.694 -2.384 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 7.728 9.595 33.703 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 3.400 16.277 8.811 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 1.948 -7.405 -6.133 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 0.644 -1.800 -6.512 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -10.793 22.863 -11.628 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 -0.371 1.198 8.616 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -19.302 9.840 -4.782 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 -3.456 -0.454 -5.093 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 0.199 3.692 -1.596 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 0.839 -10.146 -0.028 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -1.846 9.547 -2.202 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -3.895 6.273 0.020 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 12.371 -0.802 18.828 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 3.494 12.648 23.742 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -4.820 0.797 1.659 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -6.000 -6.425 5.748 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -7.354 -13.704 -0.408 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 1.041 6.159 -3.994 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 7.397 -12.055 -2.723 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 0.417 0.351 -19.866 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 9.095 1.665 -2.029 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 14.178 1.686 0.594 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 13.258 3.435 -1.001 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 4.536 0.037 1.030 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 16.163 16.724 -1.436 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 0.853 2.587 -36.989 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 1.082 3.776 -0.226 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 3.911 15.657 -5.427 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -30.370 -11.028 -4.526 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 -4.175 -3.507 -3.551 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -12.018 -13.330 9.555 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -20.644 26.180 -5.188 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -1.107 2.175 -1.770 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 9.929 -22.022 -1.696 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 15.880 -5.034 -9.953 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 -8.300 7.575 -2.857 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 -16.329 6.447 6.636 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 -9.328 0.475 10.532 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 2.287 -3.350 -1.458 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -5.551 16.475 -4.998 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -12.445 -12.524 11.545 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 -2.938 -1.237 12.732 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 -16.597 -25.460 -5.934 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 1.599 -11.629 -1.682 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 0.354 4.090 -7.456 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 5.205 9.001 0.232 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 -0.533 1.664 -9.847 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -0.614 -1.955 0.219 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -19.574 13.559 -9.771 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 -8.280 -23.653 -6.437 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 0.198 0.208 -1.370 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -23.473 -19.656 -4.388 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 -1.569 11.746 -17.187 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 -0.445 2.887 7.361 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -5.758 17.796 -2.253 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 -6.935 -4.364 -1.552 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 6.106 -8.882 -2.129 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 9.814 16.332 -8.125 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 5.325 -8.314 -4.901 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 5.536 3.521 -0.069 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 6.983 7.441 3.038 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 9.288 21.188 4.319 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 0.183 0.633 1.015 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 4.490 4.508 8.746 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 -9.813 -11.021 15.430 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 1.883 4.912 4.299 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 4.667 1.982 0.490 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -5.971 6.378 4.962 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -5.727 -0.615 5.177 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -8.607 18.733 16.825 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -3.701 -8.653 19.913 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 4.304 -3.149 -0.323 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 1.039 0.148 0.632 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 10.500 -17.891 -7.359 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 -5.745 -1.217 3.007 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 5.895 10.465 6.750 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -8.111 -4.659 -16.069 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 3.135 2.483 -4.419 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 -6.238 13.164 1.705 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 -0.537 -12.604 4.030 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 -3.323 2.793 -10.660 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 8.283 3.902 -14.718 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 6.838 2.519 -12.005 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 4.366 0.789 0.119 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 18.094 16.648 -4.772 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 17.838 -6.630 0.664 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 0.117 0.710 0.845 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 9.346 13.634 6.137 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 10.480 -13.214 0.319 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -7.694 7.115 -2.035 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -21.978 -6.852 17.411 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -21.738 7.685 2.951 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 1.435 1.071 -6.970 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -16.032 5.952 11.174 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 14.196 -2.241 -22.112 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -1.313 -3.161 -5.160 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -10.497 -0.416 -1.256 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 -3.178 -11.374 -1.354 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 -3.206 7.846 -3.641 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 11.717 -0.910 8.640 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 -14.170 10.779 -15.314 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -4.257 -4.673 -5.921 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 22.010 9.780 -13.840 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 25.666 0.879 -15.352 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 4.079 -2.388 -4.353 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 -12.713 -10.857 8.248 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -9.029 13.961 -10.740 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 -0.009 -2.229 4.728 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 25.164 0.955 24.154 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 -24.236 39.381 11.851 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 3.671 -4.472 2.203 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 -5.802 10.478 -9.257 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 10.092 -2.580 1.685 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 3.161 -5.362 -3.042 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -2.716 1.917 11.547 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 17.606 10.936 21.182 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 1.244 6.666 3.249 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 -2.303 -3.145 -8.571 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 1.637 -4.589 1.020 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 -1.084 1.791 -2.523 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 6.222 2.920 -6.504 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 10.288 3.903 -9.943 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -2.498 -3.510 1.871 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 -2.817 -10.390 1.219 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 7.208 -13.713 -2.953 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 7.038 -1.949 1.721 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 7.992 -33.245 -4.207 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 3.017 7.505 0.390 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 8.381 3.166 -0.095 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 4.229 -2.010 -22.776 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 7.964 -18.987 11.279 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 4.714 4.029 -8.591 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 6.770 31.413 7.293 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 -4.299 -20.497 -20.227 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 -6.934 -0.672 -6.082 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 -15.988 -10.230 -3.747 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 11.475 10.150 5.827 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 1.244 -4.150 1.309 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -9.615 2.359 -6.766 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 -21.909 -22.400 -2.832 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -1.168 4.212 -0.913 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -2.870 1.462 0.568 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 0.304 19.994 13.855 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 0.967 -0.045 3.134 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -10.815 2.905 10.912 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -2.200 -8.942 -23.891 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 3.906 1.781 8.520 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -1.415 16.678 9.546 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 7.007 4.398 -5.115 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 -0.350 3.671 2.257 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 0.746 -4.018 -2.382 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -1.386 3.407 1.862 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -2.608 2.859 -1.156 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 15.095 1.660 8.374 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 5.492 2.210 3.111 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -0.260 -1.940 3.109 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -6.171 21.497 1.306 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -3.897 1.834 0.708 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 -6.881 -0.782 -1.810 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 -15.707 -19.553 11.215 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 9.201 3.472 0.613 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 -0.846 9.763 3.537 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 7.031 1.767 3.704 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -9.349 5.264 1.747 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 -5.022 -3.705 -6.569 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 -6.096 -5.497 -14.649 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 -6.319 -4.903 -0.839 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 4.127 -13.126 0.109 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 2.074 -8.205 3.506 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 3.146 -11.714 -1.723 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -8.980 -2.925 0.372 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -12.549 15.091 -8.803 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -2.694 -19.451 21.119 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 2.874 -3.396 -2.390 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 -12.122 -4.530 4.282 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 -0.513 -10.341 8.091 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 -8.622 -7.729 5.748 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 -4.130 1.924 5.950 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -6.436 -15.325 1.776 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 3.593 -3.817 5.785 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 6.286 1.436 4.698 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 3.004 -8.723 -1.895 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -0.519 0.872 1.610 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -1.073 -0.048 0.034 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 -0.682 4.488 -1.051 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 6.058 2.943 -2.841 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -11.047 -22.034 -19.262 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 9.450 17.863 7.949 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -4.613 1.065 2.360 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -9.270 -6.614 -3.163 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -6.653 -11.943 10.879 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 0.880 3.264 2.630 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -23.281 -16.369 -12.279 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -6.138 -20.740 -26.981 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 4.725 4.060 3.413 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 -1.152 9.964 29.701 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 16.867 1.130 -1.392 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -2.869 -5.886 1.970 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 27.606 2.737 -9.849 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 -2.123 -8.388 -8.421 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -2.189 3.875 0.386 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 11.161 24.427 16.577 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 5.794 17.870 12.713 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 0.690 3.787 -0.390 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 -8.589 -15.461 12.081 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -3.465 6.640 1.337 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 0.693 1.335 -1.933 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 7.488 26.127 -2.620 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 -1.851 8.021 -10.236 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 1.566 3.745 -8.453 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 3.786 11.973 -3.832 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 -1.921 4.425 -8.664 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 4.315 0.936 3.908 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 -6.160 4.039 -3.359 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 -21.383 7.462 -14.216 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 3.888 -7.272 -6.077 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 -8.278 21.254 -8.597 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 5.469 -12.140 -4.055 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 7.838 3.804 -1.767 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 7.674 -4.176 2.219 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 10.689 14.031 -35.772 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 2.785 2.287 5.509 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 7.235 -2.065 18.629 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 -2.146 0.946 11.562 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 -1.907 4.926 4.875 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 3.123 -15.266 -4.393 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 9.261 12.416 12.195 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 1.383 1.393 -4.155 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 0.202 -1.709 -1.932 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 14.653 -15.886 20.800 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 1.475 -3.437 7.448 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 4.643 -0.182 6.452 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 6.673 3.403 -6.306 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -3.362 1.509 -8.600 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 9.168 -3.011 -9.810 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 0.133 12.714 9.918 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -0.196 -7.652 -6.809 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 1.938 -5.894 -4.353 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 13.248 -0.991 1.133 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 0.766 -3.442 -0.410 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 1.733 -5.750 -1.734 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 7.811 0.861 5.488 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 4.594 -3.232 -0.278 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -0.678 -8.047 8.218 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 -0.090 -7.013 -8.628 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 7.577 -4.550 3.294 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 -20.940 -14.977 40.660 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -20.900 6.623 3.776 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 -3.795 3.070 3.274 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 -12.427 -1.090 24.133 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -14.019 -3.698 -10.896 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 -0.569 0.487 1.188 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 4.277 -23.766 -17.510 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 16.880 -3.316 -3.116 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 4.982 2.073 -0.380 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 1.762 8.207 3.713 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 10.332 -6.337 -4.405 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -2.290 -10.519 2.701 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 14.005 13.778 25.276 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 -6.169 15.970 -7.366 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 -0.313 -0.194 -0.479 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 23.695 -2.777 11.423 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 -0.924 4.577 -15.375 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 -4.333 6.676 -7.717 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 -8.440 -13.669 -16.389 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 1.589 5.520 13.619 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -1.980 -6.923 3.063 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -2.372 5.616 -2.909 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 0.500 0.514 -19.479 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 7.659 -2.546 -0.204 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 26.519 -14.716 -3.951 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -6.469 -15.904 4.358 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -1.371 -5.524 1.509 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -22.419 -25.240 -3.623 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -33.935 15.877 1.545 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 -6.754 -0.021 3.708 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 13.159 5.760 -18.060 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 0.746 -1.152 15.208 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -2.372 1.048 1.169 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 -15.887 -3.044 -9.565 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 -7.085 -0.250 -2.345 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 0.701 -1.787 7.192 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 19.937 6.048 0.023 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 -21.296 -7.375 25.375 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 -2.735 1.391 -2.475 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 13.333 11.764 -18.636 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 4.518 -23.553 10.543 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 -2.083 -3.968 -8.125 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 3.703 22.603 1.525 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 24.915 24.560 -13.173 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 2.890 -7.616 -11.633 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 0.879 -17.458 -13.935 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 14.829 -12.262 -2.945 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 4.921 -0.178 -1.121 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 7.321 -2.412 -3.005 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 -3.395 -9.706 11.250 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 4.114 -1.245 -0.970 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -5.140 0.536 5.894 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 13.460 1.324 -10.998 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 -0.243 -0.769 -0.125 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 6.410 -10.571 -14.804 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 12.405 5.190 10.676 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 0.789 1.312 -3.764 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 8.300 10.204 -7.162 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 9.973 11.633 -6.683 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 3.099 1.169 4.172 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 25.044 6.533 3.550 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 -4.680 -24.556 21.199 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 1.086 6.931 0.139 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 11.347 -6.137 -1.892 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 9.603 0.182 -5.174 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -1.419 2.612 5.553 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 -0.807 4.243 3.883 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 3.225 11.630 -3.278 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -4.999 -1.153 -3.163 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 0.695 6.820 -2.221 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -10.092 -10.311 -1.521 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -9.459 -1.820 -0.631 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 -26.619 -5.699 20.051 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -13.810 -4.164 2.324 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 4.759 -6.012 -1.943 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 7.442 2.243 -2.772 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 -5.345 -9.185 15.244 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 0.553 4.517 -5.504 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 0.450 0.087 4.680 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 -2.888 -1.587 -15.346 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 2.063 -4.649 -0.769 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 17.280 -4.201 6.654 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 -8.969 -5.285 12.791 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 1.006 -3.196 -2.450 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 11.082 -1.480 -0.099 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 24.535 -11.948 1.064 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -1.137 -0.102 -1.524 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 30.384 30.487 15.957 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 0.232 1.932 -9.723 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 2.573 0.817 3.962 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 6.508 -17.976 -27.939 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 0.654 8.962 17.763 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 4.575 0.137 6.470 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 17.227 -2.510 -2.322 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -3.242 7.698 1.158 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 1.165 -2.293 -13.113 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 0.838 -2.539 -11.054 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 -2.328 -2.803 25.102 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 -3.676 -0.365 -4.586 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 23.751 -5.775 -9.587 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 9.502 17.931 1.383 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 4.401 -0.002 -8.528 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 17.550 -25.055 -9.317 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 -4.409 -16.703 -9.663 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 3.058 -3.671 -3.357 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -4.412 1.589 7.648 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -2.060 -10.509 -9.619 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 -0.834 -1.997 2.650 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 5.833 -3.436 4.283 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 -12.569 -0.719 -12.004 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 -2.240 -2.956 -4.085 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -9.635 27.505 -1.076 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 -0.427 -14.850 23.690 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 2.945 -4.269 -1.650 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 18.401 -9.815 3.731 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 10.109 -12.074 -28.701 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 -1.277 0.119 -1.190 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 12.382 7.885 6.569 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 1.376 -0.485 2.073 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -1.843 5.108 -4.208 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -27.216 6.349 -19.340 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -9.712 6.050 -8.728 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -5.378 1.376 -8.346 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -0.665 -2.548 1.428 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -11.839 -3.031 -16.174 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 4.287 0.513 -3.928 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -1.982 -7.203 14.428 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 -8.772 16.752 -13.881 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 2.787 -6.349 -1.062 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 -13.415 -26.371 -0.954 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 22.634 -6.160 -14.470 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -4.659 -1.335 6.360 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 31.053 -2.655 -0.682 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 -18.769 4.451 -13.615 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -3.971 -2.048 -0.067 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 -20.657 -0.592 -14.079 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -11.474 4.288 -9.106 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 -0.579 -2.551 1.574 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 -0.858 6.658 2.274 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 -2.160 -9.173 -10.836 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -4.961 3.347 -2.514 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -14.337 7.063 4.998 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 -8.681 -11.944 -2.941 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 2.032 -4.044 0.896 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 0.379 -1.728 2.361 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 -9.211 1.789 -4.241 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 3.401 4.278 -2.283 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 3.170 -15.955 3.497 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 0.493 1.918 -12.987 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 8.694 1.361 6.180 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 0.176 0.014 -13.290 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 20.666 -11.106 3.168 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 -3.482 2.237 -1.153 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -8.263 -0.268 -4.345 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 19.610 12.906 9.737 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -5.118 2.223 -3.181 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -15.307 17.083 0.969 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 2.801 0.761 3.100 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -5.551 -3.001 1.349 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 -24.483 -3.603 4.593 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -23.082 -3.700 3.890 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 -3.355 -2.325 -5.295 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 -24.003 -18.057 -9.135 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 7.478 -5.282 11.929 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 0.124 -3.428 -2.970 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 14.154 8.898 15.532 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 13.763 -4.039 3.974 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -2.217 1.343 2.988 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 1.872 -2.349 10.752 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 -2.432 -9.714 -0.699 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 6.707 5.159 -5.614 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 -1.531 19.927 -10.454 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 21.598 -25.901 4.733 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 5.738 6.520 -1.225 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 10.665 8.387 0.621 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 7.665 11.754 2.764 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 -2.095 1.932 3.072 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 2.882 -12.646 -0.614 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -6.271 26.628 15.146 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -6.516 -2.374 -4.622 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -4.754 -4.970 9.059 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 14.572 28.781 -7.522 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 -1.797 -0.700 0.044 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -0.598 -17.814 -4.517 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -8.777 -2.527 -7.504 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -4.418 -3.285 4.038 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 -4.879 -0.136 -12.731 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -23.517 -23.661 -17.665 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 0.156 -2.719 -12.906 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 4.745 0.303 -14.985 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -5.058 0.470 -18.793 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 1.926 -0.154 1.683 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 2.372 4.226 7.647 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -4.579 -0.775 -2.582 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 10.081 -4.366 -0.341 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 -15.790 -0.069 1.239 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 20.859 19.228 -4.029 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 -2.018 0.143 3.679 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -3.432 -2.327 -7.383 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 -14.373 -3.995 11.932 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 0.372 -0.155 3.398 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 8.331 -2.279 -12.631 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 10.053 -1.601 -11.743 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -2.131 2.871 -1.594 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -10.601 -17.149 0.092 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -2.484 -3.317 2.979 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 6.711 0.737 -3.044 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 4.055 3.106 1.608 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 5.618 -2.641 -6.098 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 1.844 1.237 -1.353 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -17.329 0.188 8.003 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 7.690 -10.487 4.999 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 -1.255 8.403 -2.909 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 -20.875 3.109 10.318 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 -10.074 3.685 -10.889 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 2.072 -0.829 2.461 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 1.284 -9.002 8.826 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 1.971 -2.023 -4.490 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 2.517 6.122 0.160 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 8.701 16.030 10.019 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 1.341 2.359 -1.976 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 2.376 -4.892 -0.331 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 -0.619 16.212 -4.002 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -2.502 -1.326 -1.180 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 -0.016 -0.252 2.974 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 12.484 10.497 -14.952 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 7.855 -2.331 4.941 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -2.667 11.176 2.902 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 -1.948 -6.075 -7.495 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -2.932 33.174 12.288 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -8.360 -2.381 1.144 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -1.020 -13.685 2.562 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 5.235 6.573 -31.648 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 4.580 -8.525 0.486 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 0.239 13.065 6.890 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 10.238 6.238 12.367 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 4.139 7.982 -6.787 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 6.994 3.998 4.672 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 2.878 -0.016 4.506 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 1.043 -0.906 -9.398 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 -4.347 5.556 -6.249 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 5.616 8.618 -12.715 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 3.858 4.160 1.706 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 -15.061 -16.143 -2.862 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 -12.182 -11.458 -7.220 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 -1.305 -4.559 0.278 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 2.613 -19.149 -5.898 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 9.939 3.181 0.069 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 3.030 -0.637 1.857 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 0.563 12.561 9.105 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 5.952 -2.128 -1.421 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 1.109 -1.363 0.228 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 11.001 -15.119 -14.438 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 6.557 -13.542 3.033 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 -10.219 0.968 4.554 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -7.003 17.873 -3.828 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 -12.925 3.187 -2.181 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 4.858 3.959 -1.259 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -5.748 5.719 -3.343 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -7.847 -3.521 -17.615 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 0.198 -3.566 6.462 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 -0.257 -19.274 -6.348 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -2.470 -1.071 0.958 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 0.767 -0.337 -1.224 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -6.307 8.300 -3.984 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 27.270 0.005 -5.934 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 1.103 6.038 -0.260 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 -5.722 15.080 21.901 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 -7.968 11.969 11.402 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 2.082 -3.790 3.843 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 9.507 -12.092 23.510 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 1.716 -17.718 -5.791 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -0.080 6.603 0.597 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 -0.682 -1.505 -0.277 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 3.231 13.481 1.323 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 0.206 -6.010 3.987 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 -2.232 0.981 -16.620 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 7.605 -25.016 2.728 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 -4.968 -3.988 5.490 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 -11.283 -10.313 6.687 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 1.980 -7.366 4.705 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 2.136 -1.443 -2.525 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 13.516 -5.816 -0.269 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -4.295 23.874 4.008 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -1.692 -0.088 -0.459 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 10.360 14.692 -4.262 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -0.539 5.063 2.801 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 0.669 1.602 2.915 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -3.731 -3.717 -4.200 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 14.253 6.755 -2.260 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -6.043 -1.492 -0.965 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 6.477 2.502 10.183 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 -8.529 -7.248 -7.176 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 4.048 1.469 -0.279 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -12.220 14.765 -16.051 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 12.823 -18.690 -18.522 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 -1.971 -1.533 6.551 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 13.278 -2.088 -9.179 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 0.716 -3.424 32.625 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 1.863 0.439 -6.492 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -5.673 9.352 3.431 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 10.602 18.550 -10.367 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 11.099 -14.446 0.478 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 6.770 -30.302 -0.494 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 7.434 -10.266 -16.082 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 -1.227 6.576 5.682 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 -5.775 -1.838 -9.827 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 -4.645 18.220 1.499 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 1.203 8.306 -2.211 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -1.065 -1.744 21.114 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -14.718 18.791 -9.587 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 4.183 -3.119 2.818 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 -5.193 7.974 -5.691 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 24.163 3.073 11.510 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 -0.851 -5.432 2.355 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -6.738 -7.634 11.767 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 3.778 5.219 -6.344 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -1.570 0.452 0.858 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 -15.420 -8.435 5.581 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 -13.867 9.550 2.971 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 -2.987 6.401 -3.996 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 1.345 6.976 12.411 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -6.359 -8.571 -9.021 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 2.301 -1.620 6.452 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 15.353 8.537 -6.027 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 25.608 10.317 -10.607 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 1.187 -1.966 0.134 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 8.922 2.075 -4.756 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 -8.003 -0.176 -0.476 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -2.207 -1.974 3.684 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 8.308 19.276 -12.565 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -2.863 1.272 -4.731 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 -1.211 5.058 -3.626 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 -8.960 -6.345 -4.522 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 16.457 27.173 -13.956 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 0.750 1.925 -0.639 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 1.045 -3.182 -11.769 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 -0.151 13.580 22.886 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 6.230 -2.294 1.280 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 -0.432 7.124 8.380 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 -14.710 -24.377 9.552 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 3.188 5.630 2.920 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 -4.954 -0.336 -6.265 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 12.525 -1.712 -10.269 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 -2.262 -4.319 1.664 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -4.191 -16.211 10.121 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -5.075 -1.536 8.127 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -2.788 0.085 5.176 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 11.021 1.891 11.813 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 -10.117 3.303 5.985 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 6.490 3.337 -0.834 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 -2.391 -3.617 1.596 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 4.576 -4.710 -9.256 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 -8.635 -1.124 -2.466 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -14.792 8.527 -1.659 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 13.596 -0.002 -3.632 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -3.338 7.575 1.560 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 1.268 15.337 -9.651 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -4.684 2.416 5.812 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 2.180 2.842 -9.570 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -0.078 -7.392 -14.638 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 5.208 -12.127 -2.879 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 2.693 -1.672 -0.479 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 9.494 1.729 2.822 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 0.649 -1.806 0.991 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 -2.247 -10.552 -1.384 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 0.896 -3.165 -9.266 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -0.820 0.031 7.060 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 3.270 -0.919 -6.282 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 -12.256 -3.890 -9.348 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 3.453 3.113 -2.128 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 1.705 4.755 -3.539 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -8.015 -26.185 -1.271 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 19.718 6.595 1.368 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 3.524 -0.561 3.184 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 27.634 -1.837 -6.763 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -5.141 -1.118 7.528 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 1.762 -6.784 -1.091 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 -24.062 -21.849 -12.965 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 -0.187 23.768 -13.453 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -0.182 -3.495 -0.958 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 -31.028 11.089 12.897 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -21.259 -4.482 18.650 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 3.345 -1.876 -2.185 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -12.214 8.406 -9.189 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -0.704 2.163 -1.941 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 -2.080 5.389 6.074 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 -3.156 21.170 6.337 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 6.452 -0.251 25.368 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 5.188 -8.771 1.001 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 4.960 7.850 -22.360 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 17.592 -12.654 11.739 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 -1.090 3.504 7.093 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 26.310 -7.884 37.891 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -8.109 -6.906 9.621 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 1.517 4.030 -2.979 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 -1.766 1.618 18.791 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 2.910 0.676 -9.333 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -3.805 -3.041 2.393 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 1.987 -1.188 -25.737 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 20.924 -10.906 15.650 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 2.052 7.215 1.170 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 -18.764 -1.765 5.618 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 17.332 3.813 4.507 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 7.286 -4.723 0.231 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 -15.896 -5.972 -16.620 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 -23.177 -8.912 -11.651 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 10.587 -6.698 5.738 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 13.878 -15.161 2.644 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -20.280 -0.522 2.880 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 1.803 -1.966 -1.595 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -2.215 18.340 -5.937 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 0.993 0.097 -3.370 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 1.203 2.580 -2.931 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -3.290 3.172 16.798 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 20.968 7.879 -34.981 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -5.104 3.535 -0.733 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -6.467 -13.509 -5.638 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -23.321 11.569 -2.824 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 -2.790 -0.656 -7.847 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 38.562 11.380 -0.459 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 7.693 -0.238 -7.988 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -5.473 -2.171 -0.335 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 6.804 3.523 -4.108 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 1.059 -6.289 -10.761 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 -4.936 0.148 -5.664 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 -24.191 1.691 -0.919 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -3.608 4.983 -22.115 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 -9.466 2.226 1.902 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 10.772 31.950 24.184 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 1.645 -4.545 2.023 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -1.618 -2.793 3.452 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 -4.831 -5.763 17.528 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 6.345 -7.007 10.949 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 0.557 -2.258 -3.155 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 0.785 1.652 0.995 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 7.892 -4.634 -13.383 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 5.778 -6.968 8.277 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -12.494 14.445 -4.255 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 -14.934 12.906 7.229 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 -2.045 -5.925 -3.012 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 -1.399 -0.731 -11.988 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 17.394 0.223 -7.826 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 5.075 -3.019 4.426 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -29.597 -6.211 7.310 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 -2.522 -6.420 -4.576 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 0.916 -2.016 -0.607 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 6.772 14.694 -6.576 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 3.017 -0.041 18.539 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 5.465 1.489 2.062 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -19.292 -3.816 -4.043 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -30.582 -14.421 -4.923 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 -2.119 6.426 -2.333 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -7.215 -3.435 0.414 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 0.995 16.629 -5.821 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -1.733 1.823 -8.082 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 0.168 13.785 -2.690 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 8.750 20.188 1.897 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 -2.273 5.936 -4.140 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 -25.604 -2.067 3.412 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 8.616 6.790 -8.894 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 -1.590 -1.632 5.278 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 -4.287 -5.685 -3.061 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 -2.297 5.858 -11.722 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 0.605 1.291 1.348 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 7.811 -9.890 9.468 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 -11.532 -1.100 6.749 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 2.667 -9.363 -0.944 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 0.706 11.025 4.046 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -4.974 9.415 15.521 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 8.737 -14.812 1.828 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 8.002 -18.810 3.967 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 0.227 -5.183 12.249 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 3.789 1.470 0.338 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 -5.160 -0.142 26.421 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 2.205 0.126 -32.767 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 6.113 -2.305 -1.203 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 16.815 2.448 9.871 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 -14.204 -4.849 -5.786 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 4.113 -5.374 2.875 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 7.156 -16.790 8.620 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 13.008 7.563 -6.467 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 -10.159 -2.384 3.327 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 -1.987 3.964 11.057 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -17.189 -9.016 -0.954 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 0.844 -6.213 -2.041 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 1.978 -24.797 3.212 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -4.442 15.082 -4.136 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 -1.271 -3.249 -1.807 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 2.472 0.883 -1.891 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 1.781 -8.270 -1.584 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 6.048 5.929 5.744 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -9.215 13.736 -1.826 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 4.419 5.306 23.191 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 -5.003 2.964 1.358 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -8.517 10.692 -0.801 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -1.465 2.238 0.626 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 -4.850 -3.142 -7.345 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 -22.875 10.539 13.115 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 -0.535 20.036 15.194 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 2.542 -5.967 -7.242 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 17.282 19.766 -1.891 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 12.606 15.422 -5.211 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 1.241 2.100 -0.866 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 8.383 -0.830 -12.106 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 -2.391 18.474 0.645 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 -2.680 -4.204 -6.533 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 -8.049 -0.960 -12.870 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 -15.325 -14.176 -13.456 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 0.046 -0.518 1.531 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 39.030 12.215 -29.296 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -12.218 35.482 9.002 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 7.665 3.054 -4.110 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 7.515 2.614 5.097 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 9.969 -4.396 -3.981 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 -3.868 -4.942 -2.835 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 -0.513 -8.848 -15.440 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 -9.364 9.803 -4.310 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 4.301 0.535 -6.409 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 6.804 -7.140 -1.361 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 -12.253 12.324 -5.144 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 -0.648 7.293 6.652 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 6.256 -2.747 4.836 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 -1.487 9.037 0.462 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 -2.325 4.795 -0.698 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -14.193 4.647 -1.857 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 23.278 -3.484 3.205 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -1.758 -3.577 5.261 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 -5.627 -17.437 -7.654 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -0.159 13.600 -8.775 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 3.313 -0.418 -0.494 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 2.152 -23.742 3.754 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 -1.663 -9.302 6.517 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 3.478 -2.912 5.319 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -11.449 6.265 11.654 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -15.563 -11.532 -15.686 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -3.107 0.688 -0.407 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 14.126 5.957 -4.201 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 22.875 3.894 -4.738 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 2.543 -8.247 2.119 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 13.923 9.791 -7.869 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 9.910 -14.248 6.104 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -4.865 5.680 4.969 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 -3.170 2.495 16.966 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -15.599 2.252 -21.733 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 1.920 -2.003 -0.416 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 8.727 -4.579 -10.361 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 12.336 3.502 12.987 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 1.455 -2.268 0.217 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 5.140 -11.721 -4.328 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 -8.803 23.164 6.891 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 -6.493 -1.641 2.485 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 -10.029 -5.063 -11.921 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 10.539 -5.854 -3.309 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 0.805 -1.333 1.469 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 12.459 -4.154 8.902 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 8.612 -5.887 11.653 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 -3.272 -3.327 2.366 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 -6.423 -9.378 -2.129 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 -18.631 -1.397 -1.260 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 -1.994 -6.132 -5.778 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 -29.435 -2.189 -13.775 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 16.933 -9.125 -6.898 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -0.189 -0.740 -0.125 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 3.190 -20.942 10.299 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 13.694 -0.925 0.784 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 2.246 -4.744 -1.444 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 13.375 2.354 -14.453 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 4.284 32.266 -3.052 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 5.908 0.271 0.321 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 -14.326 -11.370 -41.085 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 -7.272 -6.372 11.571 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -0.453 -0.581 2.485 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 0.727 13.056 11.078 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 13.294 -3.778 -8.321 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -1.390 -10.988 -6.196 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 -10.389 -31.831 -9.932 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 8.479 -21.739 6.556 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 0.227 7.533 10.595 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 -10.154 0.029 10.640 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 2.713 -26.583 18.493 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 0.022 1.199 1.692 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 4.808 -13.033 13.003 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 1.169 -19.778 -0.827 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 0.742 2.086 -1.657 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 15.930 9.874 0.557 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -3.785 24.495 -2.666 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 7.735 0.381 -4.225 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 10.926 -15.037 -17.022 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 -12.015 -7.118 0.163 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 0.876 1.367 -1.304 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 -5.354 -1.540 -0.866 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 0.465 6.571 -1.798 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 -6.520 0.230 -3.264 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 0.602 -4.199 -3.210 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 9.448 -9.287 -1.054 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -2.617 2.925 1.941 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 -6.798 5.771 0.404 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 14.518 -13.484 7.348 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -1.617 -2.230 -1.751 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -9.751 19.715 -4.962 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 5.369 -8.380 -0.145 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 -3.126 1.436 -5.199 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 -3.816 4.583 -15.943 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 22.278 23.301 -14.951 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 1.167 -2.652 0.408 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 3.026 5.339 -6.938 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 15.024 7.254 -7.817 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 6.925 -0.132 1.494 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -0.609 19.054 -14.657 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 -2.989 -6.532 -19.533 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 1.548 -0.900 3.325 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 30.928 -16.352 -38.497 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 3.240 1.109 2.424 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 5.833 3.909 -9.654 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -4.063 -26.357 4.587 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 8.581 6.797 -9.443 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -1.121 -8.800 5.900 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 -0.300 -6.621 -8.173 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -6.544 -1.100 12.133 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 6.981 -7.400 -0.229 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 -4.527 6.262 14.205 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 4.486 -4.880 -0.865 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 -0.388 -1.713 -2.281 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -1.533 -7.046 6.436 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -2.681 5.307 -2.485 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 -0.467 1.830 2.028 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 7.413 5.113 2.287 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 1.415 8.864 7.120 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 -1.755 3.763 -2.449 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -3.032 4.679 1.513 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -8.724 -3.541 -0.180 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 1.813 6.894 0.658 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -2.271 7.061 -1.992 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 2.609 13.079 5.204 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 5.007 -1.857 5.222 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 4.915 40.811 10.263 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 23.371 4.921 -28.155 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -4.565 5.321 6.024 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -22.087 -29.193 -0.627 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -0.761 19.019 37.544 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 1.369 -4.979 -5.825 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 15.661 -0.454 -16.461 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 11.308 -15.045 17.342 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -2.316 -0.002 -1.707 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -4.718 4.454 6.517 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 -4.091 8.008 -9.891 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 7.816 -2.318 -1.087 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 25.488 -2.025 -1.768 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 3.063 -19.176 -7.066 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 5.591 -3.038 1.721 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -12.800 5.547 -16.466 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -10.911 -23.574 4.177 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 0.195 0.058 3.973 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 9.127 -9.259 2.769 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -2.330 4.928 3.361 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 -1.974 -2.379 0.151 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 -1.182 -9.578 -2.062 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 -4.545 9.748 -14.007 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -2.723 2.026 3.682 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 -17.985 6.457 -9.639 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -8.392 1.150 9.358 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 1.327 -11.234 -0.690 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 3.847 -7.704 -19.173 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 3.126 -19.369 11.118 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -5.906 0.132 -0.579 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 0.734 -1.360 -15.656 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 -17.382 -3.308 1.552 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 -0.890 -3.927 0.382 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 -13.108 -1.471 -4.461 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -19.554 -1.853 -7.689 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 0.052 3.169 -3.156 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -32.617 -8.111 17.263 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 -0.188 20.991 3.424 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 -8.325 2.408 0.226 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 -9.541 4.487 -1.875 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 -3.121 5.381 -8.752 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 -2.929 -6.624 -6.896 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 -19.988 9.198 -5.369 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 3.983 -22.095 3.112 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 -8.446 -1.655 1.499 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 -3.281 21.247 -1.203 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -13.482 12.063 9.034 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 -1.941 1.015 1.534 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 8.328 -11.863 -3.580 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -9.854 4.070 5.867 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 2.179 -10.282 4.883 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 4.513 -14.607 10.979 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -5.825 -12.015 4.061 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -0.378 -4.314 -0.141 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 10.982 8.259 6.813 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 -6.489 -6.988 -4.204 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 0.152 -5.426 3.104 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 3.098 -36.123 23.828 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 12.729 -5.829 -1.873 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 -4.917 -6.448 4.319 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 5.649 -1.365 -2.184 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -12.721 -4.880 6.899 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 -4.454 -0.651 0.597 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 16.953 -0.754 -11.331 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 -5.024 15.552 14.953 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -2.993 -1.363 2.664 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -7.268 0.986 0.905 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 20.546 -16.374 16.812 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 -4.728 -1.840 5.755 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -5.008 -15.861 3.896 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 -0.033 -11.487 7.274 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -3.351 -1.724 -5.591 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 -12.788 13.095 -13.819 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 -1.179 -5.201 -2.546 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -3.374 1.343 -0.613 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 7.563 9.902 -20.767 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 16.409 23.555 20.176 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -2.093 -1.754 -0.808 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 -13.407 -14.148 12.933 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 3.507 -12.737 7.878 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 2.241 -10.403 -6.485 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -22.737 1.871 13.727 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 6.803 -12.615 -10.435 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 2.768 -0.497 -4.252 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 -3.896 -6.021 5.034 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 11.118 -6.420 -21.239 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 2.248 -5.315 0.857 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 6.664 15.901 -7.906 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -12.799 -15.410 -3.822 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -2.101 2.964 -5.434 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -19.048 -21.461 3.055 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 -16.491 -23.522 -25.000 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -3.898 -2.590 -0.491 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -6.610 -2.603 5.227 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 -1.472 5.693 -5.624 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 2.582 -0.624 -4.899 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -9.182 -2.476 12.171 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 5.257 -13.925 16.340 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 1.585 0.282 0.388 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -8.859 -5.700 -2.038 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -6.466 2.869 -19.135 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -2.211 3.226 1.528 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -4.206 1.643 17.190 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 -6.257 6.825 -2.247 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 7.492 3.167 -1.581 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 9.126 8.684 2.013 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 4.029 -13.897 -9.650 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 -5.131 0.573 2.606 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -5.511 4.315 13.304 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 -12.386 -3.686 7.993 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 6.779 -3.695 5.445 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 1.595 3.370 1.374 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 9.430 -4.624 6.413 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 0.941 -1.851 -9.297 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 7.887 -13.219 -3.623 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 2.201 -7.106 -2.728 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -6.571 -7.007 -0.491 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -9.237 -4.266 -0.289 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -8.007 -6.253 -2.651 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 2.837 -3.339 2.025 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 19.070 -9.215 -3.914 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 1.840 -17.554 3.854 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -0.085 -8.604 0.748 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 5.370 -5.001 3.035 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 3.266 -3.238 5.121 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 0.656 2.091 5.275 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 14.633 9.261 3.877 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 4.281 5.951 -10.525 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 4.236 -3.828 -6.324 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 -19.066 9.543 15.814 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 10.402 -14.403 -6.628 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 0.087 -1.414 -3.669 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 2.281 -10.229 -1.193 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 1.610 3.844 -9.176 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 -1.633 1.417 -4.589 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 33.667 5.333 16.587 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -1.320 0.844 -2.012 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 3.556 1.713 0.832 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 13.526 -0.926 -7.852 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -6.240 5.006 -4.375 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 1.611 3.235 2.883 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -6.155 -12.024 13.225 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 16.804 5.469 5.418 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 4.689 -8.244 4.183 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 10.009 -3.737 -5.519 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 10.861 -17.728 7.656 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 0.751 -0.094 -0.550 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 2.719 -7.826 20.427 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 15.244 -16.912 -19.210 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 -0.230 1.443 1.479 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 -6.123 0.293 -21.742 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 14.143 -16.525 5.690 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 -2.943 6.279 -3.417 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 -5.271 10.216 -38.110 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 4.935 -7.195 -22.559 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -4.164 -0.993 -1.153 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -4.401 -20.120 -10.763 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 14.053 7.460 4.870 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 2.196 -1.645 1.842 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -12.643 -2.406 -3.077 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 5.522 -6.649 1.051 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 -5.712 -0.088 7.288 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 17.855 -14.519 -13.689 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 -13.715 13.498 -20.603 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 -0.491 -3.500 -8.194 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 2.644 -5.084 1.017 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -5.589 -0.334 -30.069 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 1.317 1.670 -1.628 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 -7.764 -0.914 6.427 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -24.779 -6.190 0.854 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 2.777 8.720 9.374 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 6.789 5.019 13.146 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 4.041 9.974 6.183 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 1.523 2.066 0.759 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 -31.369 7.395 -2.510 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 32.231 -7.667 -22.168 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 1.982 5.010 0.367 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -2.415 15.217 15.055 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 22.767 5.622 -11.046 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 1.392 -2.998 -2.669 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 0.461 -3.223 4.085 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -0.856 6.595 -1.100 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -1.263 1.559 1.536 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -15.030 1.211 -16.548 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 1.235 -0.123 15.012 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 -1.179 0.606 0.599 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 10.779 -4.948 -3.086 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -14.274 8.748 -10.555 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 -2.696 -3.440 2.281 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -28.713 3.628 -1.470 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -1.046 11.748 19.683 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -4.156 -1.427 -4.982 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 9.438 10.958 4.585 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -20.170 10.915 -5.263 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 -8.377 1.041 1.282 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 1.766 -25.941 4.142 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 -4.578 -2.553 5.630 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 5.652 5.490 0.327 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 5.499 15.271 -0.787 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -25.634 7.359 -10.107 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 -4.169 -2.542 0.563 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 4.572 3.289 1.442 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 -4.702 4.882 2.491 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 -3.629 0.584 1.537 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -8.322 -7.565 10.222 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 7.100 4.603 -4.390 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 -5.029 8.222 9.405 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 -7.769 -2.416 -29.736 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 -7.548 31.969 10.170 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -2.937 5.971 0.610 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -1.257 -0.238 11.762 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 -1.095 -1.041 12.966 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 1.938 8.523 -5.351 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -9.657 10.712 11.444 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 20.545 0.042 -7.457 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 0.349 3.156 -6.221 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 0.979 -16.242 -11.317 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 32.083 1.807 4.074 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 6.065 -1.495 1.396 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 0.047 -5.709 -10.665 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 -2.961 -1.229 9.325 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 -0.428 3.115 -7.797 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 0.484 9.995 -5.278 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 15.975 14.339 7.990 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 0.436 1.506 -1.639 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -10.969 -6.674 -10.206 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 7.698 4.277 5.073 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 3.241 -5.093 -0.147 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 -13.788 15.804 -3.218 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 17.734 -6.525 6.030 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 -2.992 -5.786 -2.840 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 -12.671 6.046 3.468 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 -1.713 -0.623 -8.837 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -3.719 0.238 -1.454 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -18.440 6.690 -12.359 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 21.247 -3.065 10.653 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -8.794 1.116 1.354 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 -5.081 7.745 0.479 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -12.861 0.553 3.613 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -0.596 -1.948 -6.866 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -12.569 5.025 -4.159 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 12.886 -2.779 -9.089 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 2.670 -4.042 4.647 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 0.063 1.089 7.097 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 6.826 -14.375 1.402 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 1.191 -0.655 5.158 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 7.772 -17.184 -10.486 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -14.571 6.286 -15.448 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -3.201 2.934 -1.049 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 4.305 8.801 -11.477 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 5.265 0.132 -0.952 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -1.398 3.383 -3.283 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -0.346 -11.817 13.137 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -1.437 -1.524 -8.347 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 2.120 -1.347 -4.031 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 -9.791 -0.399 15.511 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 -9.355 1.686 -10.461 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 -3.856 2.278 0.600 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -11.127 16.450 -2.316 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 5.372 1.076 -12.255 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -4.464 -2.551 -0.907 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 11.461 -5.559 -1.570 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 -1.449 9.642 -16.026 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -2.448 0.704 0.385 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 -7.210 -7.447 0.970 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 12.570 2.609 7.177 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 1.503 -1.341 -1.940 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 0.889 -0.432 -3.875 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 12.703 21.893 -23.274 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 -3.681 -5.972 -3.774 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 -14.344 2.206 -20.181 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 -17.884 -0.369 17.875 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -2.922 3.200 -1.294 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 0.732 2.717 -2.292 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 14.175 -3.453 0.903 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 3.215 -1.842 -4.008 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -16.432 -2.851 -17.474 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 0.967 -2.192 -16.018 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -0.564 3.111 4.071 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 1.728 5.807 1.853 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -19.777 2.011 -6.851 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 -2.849 0.768 -6.649 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 1.348 6.592 -7.141 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 -6.793 0.168 -5.265 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 -3.698 -0.274 4.761 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 -26.940 -34.860 -2.571 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 5.501 10.548 -12.838 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -2.310 -4.419 5.421 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 -3.697 -2.618 -4.369 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -15.198 -8.409 22.793 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 0.059 1.315 -3.848 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 5.681 13.413 12.141 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -5.361 -12.350 7.059 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 5.471 -3.893 7.929 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 7.910 -34.165 -9.158 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 -8.140 10.576 0.492 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 0.001 2.780 4.049 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 10.677 2.590 10.088 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 -2.089 4.440 4.885 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 1.213 -1.150 0.564 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 -7.947 13.711 -1.777 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 -2.400 -2.709 2.754 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 0.796 0.879 3.218 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 -2.268 -28.043 -15.336 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 6.059 -4.111 4.237 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -4.455 4.041 2.432 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 -1.216 -10.250 -13.652 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -0.300 -10.320 -13.503 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -0.226 0.983 -4.088 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 8.732 -9.739 -2.299 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 14.386 -35.681 2.151 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 1.770 -6.588 -5.004 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -0.960 2.612 -2.139 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 -0.240 0.071 -15.069 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 0.196 -0.769 3.110 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 -8.424 -10.498 6.952 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 -10.323 9.854 -3.115 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 -0.178 1.961 2.595 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 -2.078 -10.277 -14.388 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 7.259 -10.216 12.086 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 1.846 -7.240 -6.927 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 23.468 4.928 4.321 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 1.610 -9.489 -12.924 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 0.303 -2.943 -4.407 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 -10.261 -3.615 -9.973 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 3.896 6.283 -8.571 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 2.617 3.904 3.879 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 17.843 8.654 18.904 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 17.409 5.876 -15.835 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 1.980 -2.195 3.833 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 4.198 -1.623 -0.274 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 4.353 4.007 4.830 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -1.652 4.687 1.455 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 0.178 16.423 31.239 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 26.599 7.156 -15.821 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 -1.947 -4.672 -1.014 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 -9.094 4.074 -1.236 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -7.857 -0.913 5.862 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 2.178 -4.706 -2.644 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 12.267 7.088 18.443 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 15.706 0.833 7.410 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -6.541 3.331 1.089 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 -15.643 10.925 14.302 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 6.660 5.466 5.173 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -2.805 -0.768 -4.895 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -18.588 -10.066 26.724 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 24.780 19.194 7.422 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 -4.299 -2.040 -3.066 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 10.472 3.442 3.851 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 -5.214 -35.015 -1.248 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 -5.561 1.620 2.646 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 11.273 2.377 -1.649 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 12.160 19.958 -12.338 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 9.523 5.659 -1.368 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 0.701 3.442 25.932 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 18.523 -13.727 -9.361 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 -0.959 -1.398 -2.821 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 0.520 21.913 6.572 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 18.331 -14.556 -18.110 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 5.257 7.089 -2.115 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 7.697 -7.371 4.635 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 6.475 -11.671 -7.011 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 0.093 -4.340 0.598 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 -19.680 -17.860 9.243 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -2.764 -15.626 19.648 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 5.116 -3.834 -3.014 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 -26.050 24.959 -18.049 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 -2.351 13.567 -19.136 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 -5.690 1.254 1.325 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 -12.643 -5.776 16.861 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 -10.729 -18.214 12.296 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 -1.244 0.326 0.318 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 -0.302 27.430 -13.714 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 -10.398 -25.204 -10.485 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 0.600 3.791 -1.021 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 -15.135 -3.802 11.827 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -3.755 -11.761 -2.493 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 0.622 4.365 0.436 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 14.113 35.301 -5.124 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -29.592 6.162 -1.314 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 -4.523 -5.586 -2.279 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 10.661 19.742 -20.071 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 4.994 -5.389 9.151 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 2.510 -3.227 -0.727 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 4.060 -11.450 19.430 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 10.272 -5.652 2.813 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -4.306 0.840 -6.375 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 1.805 13.524 3.393 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 13.632 -42.090 -6.292 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 2.982 -2.648 0.988 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -1.570 1.079 -2.583 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 10.789 -1.046 -0.733 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -3.125 7.458 -4.272 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -9.015 6.940 -3.402 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 -16.030 8.188 22.469 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -0.965 4.753 -4.191 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -1.291 -7.380 -5.450 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -16.537 -33.542 7.627 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -0.217 1.415 1.283 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -11.491 -4.905 2.980 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 48.279 3.614 8.155 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 1.888 -2.837 0.072 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -2.168 -6.524 -5.306 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 1.682 -3.216 4.501 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 -2.648 2.709 0.714 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 -9.743 2.253 -3.961 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 10.977 4.239 8.837 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 -1.225 1.308 2.609 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 5.161 -3.210 14.145 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 -10.976 -17.058 -8.383 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -5.446 1.123 1.651 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -3.459 -0.985 16.157 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -17.066 -14.881 -7.699 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -1.087 -0.722 3.082 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -2.274 -6.547 -18.559 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 -3.662 12.532 23.840 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -1.115 2.279 0.119 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 -8.928 7.755 2.867 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 15.355 -7.711 -5.415 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -2.813 1.928 -0.690 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 -4.295 -0.839 3.430 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 13.762 16.375 -31.416 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 -1.837 2.358 -1.215 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 -15.312 11.922 -11.251 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 -11.066 -23.173 -11.029 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 -5.261 -0.047 2.023 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -15.618 -4.823 -17.133 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -2.562 -20.308 6.796 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 1.844 -3.182 -0.622 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 10.186 -3.253 -15.142 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 -15.944 0.692 3.705 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 1.175 10.187 7.913 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 17.408 7.367 -5.737 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -11.920 -2.311 34.295 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 1.829 -3.328 3.421 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 -3.293 7.670 28.279 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 1.962 31.472 -12.478 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 4.128 3.387 -1.961 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 1.901 11.338 8.976 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 -5.574 6.854 -2.584 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 -0.006 -1.559 -5.296 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 6.936 -25.634 -3.723 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -10.260 -1.381 -9.998 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -8.487 0.696 3.172 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -4.259 3.159 7.775 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 -4.650 -0.958 0.489 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 3.839 0.715 3.953 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 10.955 0.214 9.236 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 16.728 -1.963 6.511 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 1.745 -0.717 -7.158 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 19.407 -6.929 10.411 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 25.482 -7.879 -12.721 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -4.011 8.210 -0.519 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 -5.472 13.201 5.017 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 5.348 13.617 8.774 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 1.332 -0.818 -3.748 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -0.747 -1.225 -1.323 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -15.550 -10.649 -10.675 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 -0.297 3.008 -1.940 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -5.705 -5.063 -12.588 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -12.735 -2.504 -12.783 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 -4.051 -1.807 2.534 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 -21.233 -12.139 5.887 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -21.198 1.708 -4.252 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 9.334 -1.184 -7.635 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 14.767 -11.505 -6.951 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 1.697 -13.866 -0.330 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 3.915 2.036 -0.400 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 8.009 -20.252 -5.943 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -3.725 11.267 -10.650 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 0.884 -4.066 0.839 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 1.419 -12.626 9.150 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -6.409 -10.191 -10.095 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -2.237 -0.168 -2.673 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 4.808 -11.920 -6.188 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -6.852 0.672 11.085 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 -1.218 -1.634 -2.602 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 1.225 -33.172 -2.849 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 3.857 26.205 23.448 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 3.431 1.948 0.251 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 10.728 -16.200 -11.949 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -2.077 16.763 -10.351 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 0.460 -3.602 -4.491 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 5.414 -2.024 5.903 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 -5.688 -0.233 -6.021 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 4.542 5.454 -2.931 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -8.065 -17.437 19.753 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 10.710 -2.350 19.409 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 -4.927 -5.427 -6.193 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 -19.604 -20.131 1.256 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 -9.101 -11.372 -4.800 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 -2.651 7.187 -1.298 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 -14.844 -7.416 -8.800 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 13.688 7.429 -13.450 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 0.683 -3.934 -3.042 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 -13.626 1.481 -6.958 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -8.139 -0.418 -6.441 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 4.898 2.843 7.111 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 -11.346 -5.117 6.141 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 -20.615 2.979 -9.502 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 1.562 3.839 0.777 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -5.115 -0.319 8.889 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 17.691 -6.640 12.881 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -0.628 -4.727 0.938 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -3.191 -21.601 -2.142 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -8.682 5.093 -12.094 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 6.990 -1.899 -2.808 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 -3.643 -1.372 -11.481 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 34.325 7.006 4.602 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 -3.094 -5.011 6.558 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -0.843 -1.889 5.673 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -11.696 -12.258 -0.315 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 -4.297 0.571 -1.941 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 5.345 -3.141 -4.107 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 12.752 -10.883 -0.667 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 -7.622 -4.500 -1.917 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 -12.943 -28.180 -13.228 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 -13.998 -6.566 -7.315 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -6.186 0.047 -1.638 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 -8.074 5.078 -2.001 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 14.043 -2.067 -5.194 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -8.135 -0.279 -4.149 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 7.577 -4.232 3.299 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -10.158 -24.402 -5.812 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 7.492 2.685 0.240 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 17.284 9.881 -15.293 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 0.018 -0.018 12.838 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -6.570 -1.131 -1.220 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 1.363 -3.214 5.762 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 -0.712 -2.039 3.484 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 1.373 -4.666 3.952 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -4.291 -9.903 -5.576 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 2.809 -24.985 1.648 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 8.821 2.366 4.157 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 8.752 -11.878 7.814 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 1.925 5.645 14.336 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 0.932 3.309 2.909 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 0.127 -12.078 28.403 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -16.463 -12.431 -14.268 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 2.832 -1.910 -2.403 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 8.251 23.637 16.520 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 10.258 6.769 -3.166 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 0.063 4.014 4.412 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 1.000 -3.858 3.303 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 10.384 7.700 -5.665 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 -4.275 -3.569 -4.511 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -1.224 0.117 -1.345 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 -6.695 -4.278 -3.338 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 -6.274 2.590 2.740 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 3.588 -11.784 3.923 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -9.763 16.141 -1.713 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 -2.706 0.345 -0.660 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 11.285 -0.384 12.908 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 -9.259 -21.690 -4.390 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 0.717 -0.138 -0.497 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 6.691 -10.764 1.294 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 -1.338 3.301 -0.373 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 8.681 7.339 -1.878 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 10.430 -3.718 -4.468 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 1.983 5.112 -6.994 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -5.650 -1.684 1.688 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 2.443 -8.374 -11.241 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 -2.794 43.726 9.393 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -0.831 1.680 0.980 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -1.551 27.166 -0.752 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -0.893 16.632 0.044 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 5.600 1.658 -7.547 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 12.844 7.658 12.355 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 15.946 -16.640 22.688 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -4.596 4.506 0.359 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -4.102 9.515 -3.381 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 -3.968 8.723 4.910 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -0.931 0.492 1.510 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 3.504 0.261 -21.083 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 8.621 -0.567 -8.530 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 5.503 4.006 -1.036 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 9.138 4.369 1.821 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 5.029 4.958 1.035 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -3.737 -2.764 2.630 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -7.985 -10.677 -3.462 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -0.699 15.688 -0.243 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 -3.824 -1.601 -0.161 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -17.274 17.198 0.056 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 -11.450 -31.377 -10.936 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 2.661 1.494 -0.395 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 -7.949 7.033 1.028 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 34.501 -26.868 -12.402 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 9.411 0.823 -1.085 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 12.715 0.796 -4.071 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 -9.428 -2.583 20.201 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 -4.181 11.623 -2.706 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 3.710 17.084 -14.732 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 -17.090 11.674 -8.946 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 1.923 2.783 -5.611 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 -5.784 -13.187 -14.977 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 12.882 39.015 10.894 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 4.012 -2.151 -1.103 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 13.697 3.378 29.171 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 3.606 5.621 -4.317 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 1.691 5.225 -5.008 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -0.203 -16.945 3.480 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 -2.702 15.261 14.401 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 7.496 -3.973 1.545 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 10.710 -21.292 25.470 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 10.933 -8.238 7.363 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -4.215 -1.853 3.731 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 -12.164 -20.744 -22.204 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 12.709 3.590 -8.675 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 -1.673 4.262 1.912 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -4.570 -9.769 4.242 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 -1.056 8.797 -13.169 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 4.906 -4.539 1.095 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 6.197 0.604 -11.259 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 15.786 -15.925 -2.195 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -2.673 -4.779 1.105 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -3.567 -20.373 6.476 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 -2.873 -0.699 -9.754 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 1.441 2.882 1.292 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -27.856 -19.410 -11.739 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -0.538 -2.069 12.062 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 1.745 -6.602 -0.863 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 7.904 -22.827 -27.598 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 -6.080 16.864 17.117 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -4.485 4.040 -0.066 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 1.861 -5.328 2.280 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 5.038 14.429 -4.670 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -0.056 -3.395 4.420 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 7.631 2.092 2.709 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 -3.132 0.940 11.083 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 -0.660 3.321 -5.874 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 12.652 4.561 -6.293 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -0.610 -11.807 -3.321 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 4.282 3.235 5.379 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 5.052 -3.353 1.284 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 -18.397 22.396 23.413 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 6.162 4.122 -0.694 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 15.138 6.023 -3.735 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 -4.796 -0.017 1.819 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 0.390 -2.106 -1.454 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 16.652 28.458 30.228 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -24.609 -13.441 -12.941 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -7.024 2.395 -4.839 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 -8.058 6.102 -5.994 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 -5.439 15.666 -17.586 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 4.781 -2.662 7.593 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -2.498 -7.359 0.365 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 8.863 9.798 -1.300 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -1.533 8.278 -1.936 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -20.181 15.587 2.465 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 13.598 -9.756 5.522 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -0.479 3.687 1.400 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 11.288 -1.157 -12.133 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 10.103 3.196 5.844 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 1.060 -2.645 1.157 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 -17.003 2.049 -9.106 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 3.389 12.073 -4.079 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -9.321 0.894 0.920 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -12.342 1.914 -5.141 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -14.720 3.154 -10.903 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 -3.183 4.759 -6.042 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 -19.344 1.399 -13.468 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 -7.720 -2.471 1.332 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -0.036 6.226 -7.526 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 13.976 -4.891 26.527 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -35.322 -17.318 -15.584 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 8.950 3.234 3.679 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 6.436 15.152 -31.112 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 16.861 -11.541 13.505 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 0.701 -1.610 -2.604 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -0.572 -15.055 -10.320 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 4.375 14.194 18.705 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 -4.865 -2.796 -2.902 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 -36.346 -0.274 -18.649 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 20.510 -28.779 24.954 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 3.179 2.300 -3.889 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -6.790 -3.295 -14.367 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 15.962 22.321 43.076 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 5.822 -0.032 -0.411 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 6.135 22.897 6.809 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 1.011 -9.856 19.676 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 0.556 0.536 -1.752 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 11.380 8.669 0.353 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 20.810 12.923 1.797 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -2.852 1.234 -1.753 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 24.655 1.284 21.803 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 16.774 -14.962 18.153 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 3.870 6.251 -3.238 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 2.257 17.141 7.705 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 16.771 11.169 -11.851 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 8.766 -4.784 -2.886 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 1.912 8.024 5.151 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 -1.767 4.249 -3.363 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -2.882 3.293 -4.187 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 4.552 -17.675 -4.789 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 2.704 23.043 7.487 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 5.905 2.520 -1.613 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 9.349 2.067 6.513 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 9.306 6.357 -6.613 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 -4.444 0.770 -3.731 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 -5.301 -1.601 -4.416 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 -13.562 1.492 -0.721 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 6.052 -0.164 -0.541 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 6.064 2.400 1.593 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 7.494 -5.310 0.111 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 0.423 -1.171 -2.975 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 13.769 -1.299 -2.055 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -21.142 -4.069 6.613 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 -5.187 1.689 -6.197 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 2.196 5.516 -3.226 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -7.049 -14.223 -6.826 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -2.049 -2.739 4.214 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 -14.761 18.759 5.150 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 -14.201 -17.675 19.703 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -5.922 6.142 -6.284 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 14.607 -3.474 -5.488 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -19.444 -14.949 -10.885 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 4.776 0.704 -1.173 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 34.309 -10.295 13.946 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -2.804 -4.376 3.105 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -6.271 5.374 -1.183 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -16.173 2.249 1.367 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 5.945 11.747 4.258 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 -1.033 0.231 1.456 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 0.580 -1.622 -6.812 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -1.105 1.386 1.593 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 0.827 -0.620 0.300 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 17.690 -14.835 6.475 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 -1.114 -8.850 -5.923 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -2.003 5.710 -9.571 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 0.816 6.234 -14.302 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 5.899 14.544 -7.656 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 9.004 -2.704 -4.402 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 2.957 2.121 -3.459 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -2.357 6.126 -7.565 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 1.432 -2.890 -5.817 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 0.979 -8.585 -1.525 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 1.120 -10.451 -31.655 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 -2.063 3.044 -5.875 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 11.077 13.102 -6.529 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 -18.990 5.407 0.694 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -0.013 1.666 -1.160 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 18.218 6.941 8.950 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 19.498 5.041 5.046 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 -2.043 3.300 -7.048 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 -0.252 6.570 -11.433 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 12.751 -4.049 -21.719 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -2.379 2.394 0.356 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 -16.238 4.585 10.284 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -5.362 14.436 -2.118 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 5.785 2.043 1.865 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 5.523 1.041 1.136 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 3.804 -25.871 8.965 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 -7.186 -4.662 5.730 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 -13.038 16.928 3.611 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 -14.770 9.111 5.317 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 5.109 1.141 -2.937 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 -10.556 9.549 0.389 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 -15.345 1.977 -0.218 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 -6.355 2.112 2.432 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -9.981 16.832 -5.886 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 8.730 2.328 -1.269 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 2.643 2.577 -1.021 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 -4.147 2.446 -8.270 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 15.393 -13.695 -6.806 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -2.926 2.354 -0.154 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -3.882 4.338 -0.247 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 4.481 -13.061 -4.614 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 2.216 3.873 -4.772 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -4.176 9.399 -18.945 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -3.147 0.202 -6.178 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 6.790 -6.075 2.129 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 32.297 4.678 -14.201 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 10.819 -0.946 26.531 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 0.990 0.113 0.757 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 7.595 -2.873 11.118 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 0.983 -1.555 -18.200 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 2.661 2.063 0.051 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 -7.614 4.035 4.423 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 -0.846 1.665 -7.589 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 1.016 -1.522 0.621 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -8.238 5.279 -15.860 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 -0.513 -13.787 4.218 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 0.294 4.157 9.545 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -1.811 -12.596 -0.195 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -0.063 14.276 -7.045 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -2.271 -1.998 -0.296 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -8.693 -13.636 -16.353 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -9.995 0.434 -28.450 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 -4.409 -3.554 -5.024 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 -16.548 -1.279 -10.534 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -3.623 -17.458 -3.925 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 -2.935 -3.028 0.610 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 -8.324 -8.012 7.365 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 -8.381 -6.631 10.108 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 2.252 -4.505 -1.260 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 9.011 0.185 -2.948 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 23.808 -20.075 37.531 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -5.992 -4.122 -3.393 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 10.337 -8.202 -11.485 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 -13.944 -2.290 0.619 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -4.431 1.356 -3.285 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 -4.462 1.764 -2.356 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 -5.964 3.506 -0.386 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 4.248 0.834 -6.739 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 -1.459 1.596 -11.752 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 10.230 0.072 -10.517 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 4.294 -4.822 3.326 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 7.682 1.005 -5.827 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 -12.586 -16.842 -2.541 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 4.336 -1.570 6.513 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 13.895 -11.752 6.479 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 5.910 -1.284 23.076 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 13.038 -0.405 6.050 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 9.959 11.441 6.026 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 11.806 -21.004 -28.006 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 3.298 -8.548 -1.926 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 -7.898 5.784 15.897 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 14.839 -7.867 -6.511 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 0.873 -2.883 -0.755 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -3.151 1.460 13.384 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 -3.750 17.264 11.865 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -1.855 5.272 4.809 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 15.058 30.260 -16.671 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 31.572 -5.726 22.707 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 3.753 -2.235 1.831 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 0.781 -8.494 10.270 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 7.073 8.203 7.951 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 2.230 -6.024 -0.876 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 -9.149 3.823 -0.651 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -4.954 -18.797 -0.270 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 4.079 7.425 1.490 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 5.990 26.264 -13.931 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 20.565 -2.224 11.635 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 3.823 8.202 -0.837 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 -4.074 13.355 0.733 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -2.041 2.382 -11.174 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -0.571 -1.389 5.738 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 7.119 -6.876 1.621 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -6.745 -22.594 -6.422 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 0.947 -1.243 7.684 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -10.867 10.892 -16.808 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 8.406 7.425 -1.950 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 -5.916 -3.100 -0.992 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 -3.455 -9.154 11.883 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 -5.156 -12.224 17.480 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -0.985 -1.342 -4.856 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 3.296 20.726 17.294 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 8.555 -0.509 -12.344 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -7.283 -1.328 -3.980 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 7.269 -1.623 9.537 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -18.125 1.580 -16.500 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 3.021 2.555 1.905 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -8.228 9.002 -2.111 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 7.726 9.766 9.411 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 4.513 -2.539 1.623 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 -11.411 2.764 -1.468 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 17.940 -11.777 3.127 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -2.601 4.212 1.259 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -4.416 8.126 15.788 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -0.522 -1.247 6.064 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 0.891 -1.371 2.672 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 1.559 -0.652 9.147 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 -1.973 1.054 -4.080 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 5.731 -4.403 -0.736 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 12.509 8.800 -18.528 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 9.564 -31.084 8.149 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 2.418 -3.510 -3.676 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 -7.145 -5.060 -0.499 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 9.301 2.864 18.438 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 3.015 -0.742 -0.830 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 1.114 13.026 -4.037 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 14.656 -3.258 1.150 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -0.062 -1.846 -6.664 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 10.608 -5.278 0.465 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -8.370 -2.461 -13.367 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 -0.098 3.160 -1.129 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 2.203 -2.259 6.954 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 0.058 3.617 -10.162 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 2.077 8.063 -0.322 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 1.961 4.706 -8.389 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 4.613 17.935 -4.322 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -7.559 -6.539 1.547 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 2.889 4.843 -7.015 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -26.466 -19.026 -3.498 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 1.431 2.258 -7.613 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 8.475 -18.663 -28.143 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 2.471 -14.042 -6.093 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 9.988 1.442 0.286 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 22.452 -3.925 8.423 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 -3.707 6.060 -6.091 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 2.783 -0.395 -1.712 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 4.127 20.998 7.663 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 8.061 -22.499 0.266 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 2.752 5.724 0.019 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -11.063 8.704 -2.365 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 16.774 4.250 -9.826 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 3.588 3.662 -1.173 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 -7.164 -8.787 9.993 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 11.527 5.584 0.611 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 3.324 -2.536 0.618 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 6.510 -4.293 -0.174 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 12.297 -30.032 11.900 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 -0.804 -5.808 1.157 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 12.025 -5.851 -9.963 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 -3.623 -6.657 3.246 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 5.590 -2.209 -0.622 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 19.488 4.055 -2.175 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 2.288 23.447 13.611 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -2.608 -1.663 -1.896 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 7.204 -6.523 9.610 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 -8.784 -5.047 -15.662 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 0.940 -7.750 -1.877 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 2.076 18.284 10.919 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 -8.980 -6.666 11.063 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 2.157 4.705 -1.522 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 -8.006 15.595 -5.986 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 -0.183 19.956 -5.413 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 3.727 2.376 1.802 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -2.301 26.437 -14.416 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -10.171 4.960 15.879 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 0.614 1.578 8.609 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -8.568 17.442 25.254 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 2.622 5.935 -14.069 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 -4.855 1.375 -0.123 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 -23.151 -1.339 -4.770 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 12.232 -11.769 -22.561 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 1.958 -4.229 -3.509 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -18.353 -15.569 -22.913 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -7.048 -7.912 2.506 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -5.159 5.175 -1.844 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 -5.493 -5.844 8.072 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 -15.434 6.397 0.051 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -3.293 1.749 -8.057 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -4.403 -1.385 5.424 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 -16.755 -3.570 9.363 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 -3.248 2.258 8.321 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -15.251 7.498 7.580 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 -5.021 -2.850 -4.842 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -3.729 -1.398 4.587 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 -19.207 -13.118 0.727 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 -6.139 -5.335 9.009 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 1.084 -1.690 1.570 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 22.056 5.133 15.038 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 11.637 9.690 -14.219 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 4.759 -2.801 1.093 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 -1.519 4.000 1.117 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 -1.746 -27.816 -9.267 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -1.803 -0.915 -2.661 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 13.478 -2.097 5.099 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 2.660 0.139 -12.039 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -2.723 -3.650 1.300 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 0.500 -2.580 -3.636 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -8.659 -5.611 -0.272 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -2.135 -2.095 -1.625 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -19.249 3.682 7.663 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 10.167 -9.920 -9.050 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 1.759 3.724 1.618 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 1.757 -4.966 -7.152 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -8.786 -5.590 -20.263 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -7.115 4.747 3.515 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 -4.772 6.949 22.501 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 -3.951 2.834 1.547 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -1.128 0.660 -1.255 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 2.502 -8.555 -3.327 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -16.204 -8.687 5.262 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -3.329 -10.105 -3.347 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 8.039 -6.397 0.897 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -1.056 -2.975 -17.842 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 1.818 2.372 0.075 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 8.911 -0.647 -17.698 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -0.615 5.129 4.326 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 3.554 3.572 0.912 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -12.013 11.846 7.500 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 0.959 6.282 -15.555 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 1.937 3.887 -5.127 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 -8.779 -1.658 -4.548 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 -31.932 13.658 11.631 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 -3.997 -0.400 -8.240 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -15.946 4.519 4.342 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 3.050 -7.914 -17.190 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 0.788 -5.225 -0.210 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 -1.539 -7.861 -7.332 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 -1.430 12.751 6.378 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 1.555 -3.998 -1.227 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 22.896 -0.517 9.287 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -14.200 -6.352 -9.570 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 -4.989 1.276 1.324 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 -9.050 23.007 -27.734 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 -9.214 -7.480 -8.394 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 3.670 6.714 0.472 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 13.924 1.414 1.422 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 -0.909 0.212 -9.697 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 3.019 2.908 -1.348 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 -4.526 17.316 37.947 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 3.869 0.284 -6.240 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 5.107 0.825 4.587 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 -4.049 8.645 1.659 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 5.029 1.530 2.613 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 2.397 0.501 7.778 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -5.158 16.421 -5.673 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -7.298 17.774 12.698 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -0.667 2.448 4.176 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 12.520 24.877 18.515 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 5.956 -10.723 13.784 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 -2.057 2.945 1.674 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 -10.555 3.348 -5.864 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 6.133 -7.323 5.223 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 3.561 -3.760 -8.818 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 8.891 -0.380 -15.365 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -12.596 -1.610 -14.026 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 1.298 1.991 -1.086 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 -14.849 4.954 8.318 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 13.875 -3.870 -16.948 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 3.633 -0.753 3.750 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -6.228 -4.814 3.582 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -6.113 -7.912 2.776 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 0.540 3.355 0.615 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 -4.192 8.368 -15.895 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 22.814 -7.561 23.698 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 5.472 -9.066 -6.736 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 2.544 28.391 -25.992 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 7.509 -1.925 0.770 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 -4.744 1.680 7.250 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 -12.275 -6.339 -4.189 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 16.725 -19.409 10.425 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 -3.934 6.282 0.210 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -2.767 0.736 20.836 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 13.923 0.607 -8.930 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -4.236 -8.674 -2.244 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 -1.737 17.273 7.234 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 2.725 0.304 -10.154 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -1.723 2.207 5.264 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 9.372 10.995 -2.646 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -23.593 -13.000 21.456 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 -3.297 -4.962 -4.577 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -6.665 -7.077 -12.078 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 -5.416 -3.921 16.728 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 -1.364 4.798 0.733 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 -13.959 1.811 -2.637 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 -10.260 -2.027 -16.505 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -0.856 -1.138 -2.832 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -5.017 4.594 5.089 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 2.604 -7.393 1.821 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -2.986 6.172 2.889 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 -13.342 4.203 21.474 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 14.702 23.733 0.719 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 0.038 4.105 -2.179 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 5.774 -4.953 -0.630 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 -8.330 0.348 -1.585 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 0.851 6.969 -2.424 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -0.267 16.748 -9.859 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 12.357 10.654 -0.553 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 3.582 -7.757 -0.022 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 3.308 -10.642 0.133 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 -0.004 -6.583 -10.473 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 6.381 -1.299 -9.322 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -5.011 6.987 -8.329 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -2.501 6.808 1.259 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 6.959 3.570 2.815 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 -3.211 0.451 14.555 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 11.705 9.585 -5.905 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 0.725 4.014 -3.702 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 2.992 -1.313 23.367 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 -3.841 1.700 -2.659 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 4.143 2.704 1.304 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 20.851 -7.697 20.521 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 -9.322 13.335 3.151 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 -0.116 2.136 10.416 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 16.148 9.765 15.083 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 -2.938 3.900 -10.401 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -1.722 3.422 -2.147 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 0.526 -1.625 5.429 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -7.581 -10.021 -11.117 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 2.991 2.267 1.558 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 4.016 -7.354 -2.958 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 14.156 -8.166 -0.040 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 1.192 2.308 -3.575 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 12.882 17.746 -24.364 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -0.656 -0.664 2.849 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 0.732 4.198 3.786 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -15.149 4.977 13.853 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 4.249 15.260 3.681 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 7.683 -1.689 2.773 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 17.123 -15.097 9.127 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 -7.339 -2.079 5.260 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -1.267 4.917 1.303 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 3.939 -3.071 -3.742 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 16.309 -9.543 -8.298 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -8.368 -1.928 -0.147 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 -9.991 -5.195 16.122 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -15.462 22.489 -25.597 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 4.855 -1.042 5.278 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -4.008 7.227 -5.833 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 -5.541 -20.460 -0.225 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 2.332 -0.281 -4.795 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 0.345 3.710 11.547 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 -3.461 12.110 11.895 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 2.426 -3.493 1.713 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -0.037 -13.059 -1.222 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 15.676 22.693 -0.771 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -3.067 -2.686 5.783 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 4.200 0.144 19.115 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -23.406 18.701 20.324 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 8.241 -4.856 -3.243 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 7.769 -7.331 -0.436 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 7.151 -2.957 0.066 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -0.177 2.226 -0.043 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 1.467 10.391 -16.478 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 -8.881 -1.792 30.778 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 -6.738 -2.685 -0.075 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 19.871 13.182 -16.793 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -28.421 -4.952 -2.582 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -3.213 1.290 -8.257 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 1.379 1.923 -6.298 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 0.390 0.037 -4.999 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 3.682 7.019 -4.428 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 6.246 -0.765 -19.550 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 22.302 20.229 8.620 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -0.937 6.340 3.683 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -11.023 -5.463 7.183 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 -12.102 -1.794 9.174 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 1.502 7.228 -0.049 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 -10.770 13.244 -1.384 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -14.977 2.759 -13.828 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 -3.571 3.315 -2.266 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 -4.774 -7.149 32.125 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -1.595 -16.920 -12.542 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 -5.541 -5.115 1.401 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 -6.811 4.456 2.053 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 -0.949 -16.842 2.132 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -0.304 6.258 5.073 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 19.636 -0.242 -2.881 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 2.848 9.076 16.001 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 3.937 6.110 -0.043 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 6.023 0.116 0.209 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 12.852 -15.654 0.840 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 4.971 -1.742 1.562 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 9.944 -6.425 -0.854 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 13.529 -32.433 7.774 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -4.826 1.281 5.090 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 2.959 4.588 -17.277 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 25.143 9.828 23.037 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -0.981 3.650 1.304 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 5.341 10.944 14.068 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 8.313 0.094 -12.717 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 -4.138 -0.389 5.230 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -9.658 1.833 16.484 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 -8.636 -8.180 -1.460 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 5.366 1.179 1.295 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 4.808 -1.155 24.428 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 1.276 4.163 -6.327 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 7.562 1.961 -0.474 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 13.107 -16.865 38.449 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 3.689 20.230 -23.483 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 -0.970 0.426 2.833 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -6.040 5.011 5.937 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -18.820 19.577 -0.778 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -2.459 -0.145 2.755 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -31.269 -3.055 16.573 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 0.856 -22.317 -17.065 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 -3.168 6.468 1.273 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -13.631 -32.521 7.927 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 -0.695 -9.071 1.714 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 2.135 0.330 -6.472 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -17.452 -4.571 27.680 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 10.547 -6.302 -14.424 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 -0.558 -5.398 2.680 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 -14.048 1.458 25.350 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -18.620 8.219 3.130 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 0.424 2.494 3.095 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 2.034 7.339 3.756 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 11.568 -0.697 15.239 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -6.152 -4.281 1.208 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 -8.744 -14.174 7.039 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 -14.981 -1.528 -6.883 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 3.770 -1.860 -5.697 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 -3.797 -0.683 -14.253 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 2.487 -14.998 7.687 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 -3.779 3.116 -2.967 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -4.129 3.440 -6.671 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 -5.317 1.545 25.070 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -6.421 5.328 1.275 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -24.629 -14.147 4.664 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -13.633 -4.710 3.543 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 -1.288 3.198 -0.676 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 -12.394 -13.619 17.767 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 15.325 0.426 -15.175 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 6.593 0.399 0.037 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 3.758 -3.702 -16.323 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -4.130 1.030 -11.264 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 5.660 -4.531 7.354 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 7.015 -11.701 3.826 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 15.037 1.027 7.893 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 3.031 3.134 -2.773 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 3.857 8.865 -2.044 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 8.198 -1.454 2.238 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -6.231 0.526 -0.424 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 -29.501 -2.508 -5.302 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -8.872 -0.167 -1.968 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 -4.732 0.836 -0.914 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -12.636 -7.771 -24.417 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 25.188 28.241 7.024 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -2.920 -10.537 -5.613 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 3.607 2.732 4.404 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -4.238 -20.533 10.179 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 -2.241 -4.086 9.656 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 -15.041 -0.716 4.385 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 -5.553 1.973 3.185 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 6.199 2.943 1.672 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 -7.415 12.466 0.804 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -30.554 8.835 30.557 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 5.586 2.323 -0.570 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 -3.009 3.300 0.730 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 12.046 10.040 -3.879 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -2.737 1.332 7.396 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -13.587 -16.895 -0.653 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -0.070 -14.722 0.499 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 1.977 -3.417 -0.479 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 11.808 -7.446 7.929 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 18.521 2.527 2.480 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 5.498 -3.305 5.718 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 -4.573 -4.512 11.428 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 -11.165 2.114 -9.019 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -3.648 -4.814 0.633 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 -38.093 17.261 0.066 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -5.721 -4.726 -22.995 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 -4.018 3.083 -0.175 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -5.858 4.901 -0.444 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -3.315 4.129 2.652 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 -0.201 3.614 -1.433 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 5.538 -6.135 14.009 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -23.772 18.549 -9.044 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 1.484 -0.561 -4.103 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 8.732 -2.048 29.989 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 7.159 -4.043 17.612 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 -0.384 4.054 -0.023 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -0.566 1.776 -10.774 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 -15.648 -6.978 -3.514 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 -2.676 1.882 3.488 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -1.636 -0.629 -5.378 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 2.022 -19.197 18.682 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 0.596 0.034 -1.034 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 5.914 2.639 1.417 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 3.558 -10.188 16.484 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 5.341 -1.535 -5.705 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 1.703 3.532 5.600 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 4.249 -0.687 -2.660 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 2.338 3.798 -3.531 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 7.046 -0.760 -3.181 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 -13.798 22.041 -6.732 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 5.671 1.260 0.039 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 10.105 0.608 3.297 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 6.691 5.116 5.248 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -0.062 1.762 1.587 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 -8.914 12.347 3.978 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 16.517 39.422 6.646 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 0.544 6.294 4.839 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 12.285 -0.580 25.184 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 17.993 12.888 -10.421 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 2.797 -2.824 -1.402 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 2.863 4.073 6.883 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 7.274 1.791 -9.120 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -5.458 -3.330 -5.777 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 13.500 -3.867 -5.863 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 6.707 -5.622 7.064 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 -4.463 -0.114 1.008 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 -18.352 -8.810 2.450 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 -6.299 14.932 1.719 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 2.775 -2.370 5.426 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 14.168 4.117 0.037 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -5.430 -2.630 -4.405 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 -0.870 -0.140 -8.579 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 -33.950 5.856 -2.240 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -30.566 -6.054 21.759 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 3.528 -4.481 0.761 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 1.809 -0.440 10.449 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 26.656 8.368 -2.808 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -5.489 1.565 -1.894 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -0.990 2.729 -20.826 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 -4.815 -1.955 -24.725 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 -4.299 2.004 -1.694 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 -18.550 -19.678 8.969 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -10.252 2.618 -1.977 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 1.046 -3.513 -1.231 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 6.548 -15.556 -16.268 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 7.803 -11.070 14.753 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 -6.890 4.560 -2.421 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 13.436 22.386 1.438 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -2.547 8.164 -6.201 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 -3.435 -4.735 -0.802 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -10.972 11.706 16.798 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 6.840 4.662 3.988 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -0.644 -1.509 -1.605 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 11.649 -1.602 36.108 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 -4.139 14.650 5.744 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 5.843 -2.789 -0.858 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 14.707 -1.552 8.208 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 11.302 11.546 13.878 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 3.252 -0.117 -3.060 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 -9.790 22.246 -7.976 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 15.148 -15.740 -0.261 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 -4.084 2.894 2.804 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 -13.227 9.622 5.370 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 0.787 8.120 -7.804 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 -1.187 3.760 4.074 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 8.445 17.350 25.766 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 -1.600 -2.291 -4.602 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 -2.883 8.501 2.997 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 -11.294 2.230 7.800 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 16.106 2.109 -15.087 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 7.594 2.646 -1.646 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 -4.241 7.009 8.399 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 20.292 3.304 25.029 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 9.066 1.155 -1.635 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 15.114 5.864 -33.658 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 13.882 -23.774 -33.960 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 2.525 -5.867 -3.604 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 8.004 -20.879 -5.210 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -6.080 27.879 3.110 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 9.041 -5.911 -1.945 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 10.509 -2.928 -12.859 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 6.521 -3.797 2.043 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 4.218 -2.545 0.505 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 -4.149 1.780 11.305 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 3.308 2.695 -7.490 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 2.135 -4.994 2.084 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 10.141 -5.920 4.580 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -9.528 -9.021 -0.803 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 -3.416 -0.332 -0.992 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 -8.508 11.653 5.953 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 19.685 1.921 -25.378 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -3.112 -0.469 -2.276 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 11.288 -34.183 -19.634 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 7.819 5.722 -18.354 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 -3.760 -1.843 0.760 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 -0.709 6.972 -3.566 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -12.656 -4.476 -3.910 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 -9.612 4.258 3.916 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -23.316 10.950 -11.348 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 -29.069 6.649 -17.749 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 6.041 -0.019 4.485 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 43.225 12.434 4.349 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 3.687 -3.039 15.149 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 1.159 0.606 6.268 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 6.400 -17.052 1.254 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 9.187 -21.234 20.217 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 4.856 1.870 1.523 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -8.552 -14.590 -29.306 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 21.749 7.811 28.969 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 4.934 -0.868 -4.539 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 10.038 -10.102 -2.158 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -8.795 -11.327 -13.030 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 3.414 -3.563 -4.142 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 21.474 -0.345 -24.970 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 15.394 -11.660 -16.346 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -5.422 5.195 5.715 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 -4.684 3.768 -2.657 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 -13.890 9.207 5.369 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 -3.017 -0.006 4.895 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 9.203 6.172 14.791 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 -15.292 4.017 29.176 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -8.882 -9.735 -2.343 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 7.062 -5.564 1.774 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 -12.865 -25.216 3.490 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 5.846 -5.759 0.819 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 0.730 12.455 6.999 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 8.361 -18.902 -3.388 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 -8.720 -1.951 1.519 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -1.164 -7.226 -8.917 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -15.058 -0.103 1.291 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 1.387 2.219 5.880 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 10.804 -19.043 6.713 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 9.936 7.094 -0.706 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -0.180 7.599 -1.974 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -19.025 24.752 -16.810 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -12.707 -13.688 45.596 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 -0.978 1.885 -4.911 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 9.624 -8.677 -19.570 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 20.612 -2.594 10.072 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 2.020 0.372 -1.935 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 4.788 6.404 -2.946 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -7.844 20.670 4.475 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 4.309 7.589 -1.139 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 25.863 -17.889 15.832 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 1.001 10.161 -9.312 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -3.881 2.184 -0.385 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 7.294 3.345 7.376 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -8.910 5.044 2.805 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 7.119 0.664 -3.501 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 6.950 -2.632 -8.936 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 11.881 15.157 22.711 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 1.133 5.389 3.246 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -3.988 -7.836 -13.448 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 9.676 -1.311 17.047 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -2.124 3.812 -0.737 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 16.138 4.656 3.491 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 6.745 4.008 -0.607 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 1.551 -3.273 6.232 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -4.000 -17.628 7.266 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -16.615 10.556 -3.843 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 1.395 10.307 2.189 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 17.453 -11.532 5.498 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -11.322 -3.446 7.251 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 6.375 1.556 2.665 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 -8.720 -15.885 6.051 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 19.850 8.298 19.183 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 -8.026 4.622 0.392 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 2.463 2.610 11.433 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 -5.076 4.662 1.326 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 -4.872 2.619 -1.396 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -19.283 10.608 10.094 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 5.277 -3.260 -10.260 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 2.186 -1.783 4.176 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 19.525 -4.152 15.042 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -17.941 -5.641 16.669 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 -6.861 2.502 3.834 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 -10.044 9.531 -2.068 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -8.546 -12.081 11.590 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 6.558 2.932 -3.983 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 2.343 -1.726 12.261 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 7.694 4.434 3.541 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -8.939 -2.442 3.212 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -11.949 12.131 -4.116 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 -12.910 6.275 4.008 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 -4.378 3.287 -0.717 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 -9.673 -5.106 -0.491 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 -5.827 -15.073 10.046 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 1.397 -2.888 1.937 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 4.425 -2.675 7.549 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 -5.350 -21.255 -13.820 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 6.202 0.868 -0.398 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 8.684 -0.377 -10.048 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 15.653 5.826 -7.976 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 -1.971 -1.235 1.684 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -9.678 1.330 5.878 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -2.789 -4.215 1.890 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 10.902 -4.641 -0.395 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 14.314 -5.429 -1.410 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -5.173 2.174 -3.978 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -1.625 1.525 -2.077 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -5.449 0.607 -9.356 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -1.122 0.618 9.810 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 -5.357 -2.106 0.624 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 9.312 12.566 -9.578 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -8.413 -5.970 5.132 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -2.607 3.324 0.948 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -6.164 -4.192 -6.877 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -5.868 -7.371 -9.501 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 1.440 4.491 0.711 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -12.498 19.803 6.195 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 3.210 -0.428 -16.681 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -0.326 1.048 -5.456 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 22.965 -6.904 2.113 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 5.058 2.060 -10.681 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 -3.402 -8.050 -1.425 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -5.494 -3.293 -10.997 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 3.939 -3.683 2.797 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 -4.141 -0.728 1.596 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 -20.554 -6.790 16.329 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 31.608 -23.689 4.535 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 0.805 -5.943 -3.182 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 20.148 12.664 -2.687 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 0.235 -4.537 20.277 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 0.413 1.394 2.592 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 3.274 1.453 1.890 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 -1.760 2.290 1.133 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -1.351 -5.177 -3.289 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 14.725 -16.345 -1.265 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 16.279 1.352 24.377 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 -9.405 -0.627 -0.528 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 2.035 -14.418 11.053 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 -7.476 4.695 -0.369 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 2.044 -6.684 -4.577 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -4.866 -6.989 1.661 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -1.801 -9.502 -11.891 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 4.280 -4.007 3.818 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 -5.780 1.476 -12.716 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 6.458 -8.310 10.930 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 4.300 3.253 -3.817 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 2.120 2.040 2.148 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 12.896 13.976 8.813 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 0.710 7.771 6.241 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 18.655 10.559 10.606 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 7.683 13.180 14.143 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -5.065 -2.395 -2.187 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -22.102 -5.105 0.611 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 6.999 -23.752 -2.461 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 2.706 2.118 1.380 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 8.152 3.307 2.265 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -6.978 -6.714 -6.456 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -0.019 -1.010 -1.936 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 -10.248 -6.147 36.823 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 15.986 -4.914 -8.656 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -0.336 -1.031 3.237 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 0.849 -2.095 21.847 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 -15.248 -8.419 12.277 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -2.803 -0.880 0.056 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 5.209 24.008 14.807 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 10.295 3.639 0.000 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -4.723 4.951 5.525 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -30.524 7.950 13.905 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 13.748 9.698 18.678 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 -5.072 -2.558 -5.325 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 -3.748 -1.068 -4.805 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 1.917 6.088 -4.152 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 5.372 9.055 -7.473 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -6.470 -15.901 3.346 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 3.762 10.662 -5.215 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 1.223 -7.266 0.455 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 -11.255 -17.439 8.127 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -10.418 8.521 0.558 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 4.135 0.400 0.367 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 3.311 8.752 -2.052 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -3.007 -1.861 3.215 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 0.335 7.647 10.729 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 2.443 10.576 -0.086 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 6.521 -3.804 -0.282 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 1.550 -1.823 0.354 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 -6.261 -21.645 7.260 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 5.926 8.619 3.161 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 -1.078 0.760 -4.754 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 15.698 7.211 -20.351 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 12.722 -2.942 -0.697 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 -3.020 -2.993 2.475 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -14.671 -12.586 -24.399 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 28.043 1.791 -19.282 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 0.664 -5.464 5.127 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -5.266 -13.400 4.423 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 -12.371 -12.443 17.097 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 4.052 -1.228 1.993 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 -1.890 17.715 4.565 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 0.479 -3.042 4.448 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 2.333 2.777 -1.061 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -3.028 -23.758 11.664 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 17.294 3.152 2.364 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -5.975 -1.113 4.122 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 -0.040 16.297 0.837 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 11.023 -10.201 -0.686 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -7.370 -3.113 3.901 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 20.983 11.152 3.032 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 5.999 0.225 16.853 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -0.932 2.010 -3.279 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 -10.892 15.309 -11.268 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 9.253 -9.069 -7.233 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 3.806 -4.612 3.593 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -4.252 -12.530 -7.865 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 1.859 10.869 -0.885 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -4.938 -2.543 3.766 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 -20.317 1.853 7.354 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 -7.570 -12.241 1.150 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -4.103 8.482 1.823 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 -0.656 -12.212 18.450 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -4.759 -12.070 12.966 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 -0.258 3.294 -1.872 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -2.783 12.993 4.489 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 9.513 -1.161 15.538 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -1.410 4.984 -3.587 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 4.426 21.892 -29.134 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -25.781 -26.495 -4.671 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 5.547 5.923 -1.518 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -2.542 -2.000 10.114 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 15.574 9.811 6.896 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -1.294 8.837 -0.787 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 17.284 -0.763 -5.080 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -9.675 -2.170 7.713 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 1.552 -6.315 9.038 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 -14.142 -9.482 -9.044 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 -0.483 -13.260 3.935 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 4.212 2.804 3.488 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 4.148 2.277 1.351 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 9.218 -6.265 -27.808 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 -1.283 -6.378 -2.887 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 6.336 7.332 28.205 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 -26.819 14.271 -4.812 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -2.980 -0.223 -1.249 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 -3.402 0.809 -3.742 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -3.577 -0.169 1.432 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -6.668 5.485 -0.348 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 -5.833 21.016 -8.737 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 -7.536 -5.235 -3.726 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 4.230 4.159 -0.048 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 12.987 2.656 -5.606 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 12.474 40.804 -2.218 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 5.825 2.311 4.946 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -3.013 -10.170 -5.021 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 21.142 -16.130 -20.836 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 0.886 -4.477 -3.986 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 2.974 -0.722 -9.322 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 6.488 -5.276 -1.502 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 -3.359 -2.369 4.420 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 21.120 -8.452 3.389 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 -22.266 -6.159 -18.608 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -3.325 1.907 0.474 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -5.236 11.762 4.358 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 -20.798 -16.739 12.397 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 3.185 -0.237 -2.680 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 0.849 -3.273 -5.322 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 4.504 1.984 0.248 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 7.402 -6.041 2.115 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 24.174 11.574 4.057 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -14.741 -0.855 4.847 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 0.642 1.908 -3.547 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 7.369 -4.934 -5.044 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 2.515 7.169 3.438 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -0.702 3.180 -1.896 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 8.772 4.918 1.954 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 29.776 -0.216 12.157 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 2.534 0.352 -3.066 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -3.546 4.669 1.307 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 15.334 -18.587 -14.049 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 11.927 0.328 -3.733 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 35.099 -2.424 -2.349 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 -23.560 3.280 -5.508 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 2.414 6.485 -2.876 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 6.352 4.593 -9.808 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -11.284 -1.764 8.729 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 0.020 -6.002 0.563 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 2.271 3.590 -3.948 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -1.634 -15.401 -9.285 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -2.663 -5.604 1.584 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -1.658 -5.761 1.823 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -7.906 -0.825 0.122 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 -0.263 7.236 8.934 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 12.465 -1.726 10.565 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -3.600 8.668 8.345 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 1.258 -4.449 -4.142 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 2.575 -14.954 7.742 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 -0.796 0.724 -8.696 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 -2.353 0.622 -0.951 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 -7.867 -16.624 -0.302 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 10.105 0.348 -2.583 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -8.742 4.868 -6.893 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 -14.282 1.401 -17.952 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -13.989 -4.859 20.908 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 3.327 -1.007 -1.722 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 -1.287 -1.185 -5.575 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 7.266 -0.744 -1.391 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 -1.596 2.178 -1.194 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -2.085 -30.708 17.206 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 1.609 -7.671 4.431 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 0.006 -0.751 -8.731 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -6.825 -0.721 -1.475 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -23.751 -8.413 -7.397 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 0.020 1.186 5.714 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -1.004 46.030 6.599 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 1.153 -19.654 4.462 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 0.853 -4.725 -1.317 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 1.657 -0.321 2.681 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 0.980 -1.141 2.125 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -4.109 13.895 -1.745 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 18.402 10.669 12.090 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -10.495 -21.276 -4.053 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 5.788 -0.070 3.477 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 2.921 2.748 18.729 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 -10.035 7.214 -19.865 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 2.023 -0.336 -3.648 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 33.667 11.662 -17.040 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 13.670 -8.923 -10.601 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -1.445 3.493 0.078 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -2.384 -22.675 10.924 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 -34.801 7.319 -17.319 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -0.433 2.177 -2.691 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 -8.249 10.114 2.241 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 -17.908 -6.584 -11.282 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -2.149 -3.104 -0.578 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 2.765 0.323 1.367 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -0.126 -1.807 -0.054 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 3.766 -3.054 -3.747 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 8.805 8.040 1.456 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 -5.159 -2.431 9.807 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 2.486 3.087 4.807 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 6.429 4.256 2.027 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -24.611 12.690 -5.045 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 1.918 7.705 1.329 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 1.377 3.186 -4.598 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -2.030 5.829 4.719 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 0.608 1.299 -4.994 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -10.614 -9.900 -4.269 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 16.509 -17.526 -30.492 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 -0.384 4.204 1.022 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 -12.788 23.386 25.010 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -3.787 2.198 14.827 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 1.822 -0.229 -8.287 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 13.068 -1.488 -6.207 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 7.174 10.154 -20.632 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 3.512 2.872 -2.241 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 2.826 -1.011 -6.089 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 3.698 3.663 -1.884 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 4.271 3.888 0.927 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 0.418 2.253 -2.144 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 4.122 5.303 -12.185 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 2.826 -0.352 2.059 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 1.195 -10.894 1.161 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 3.097 10.169 5.281 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 -1.431 -5.320 1.489 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 13.501 8.366 9.131 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 2.191 8.571 -10.207 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 -4.674 -0.962 2.315 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 -7.934 2.801 3.232 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 -22.358 10.675 19.538 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 1.051 1.248 1.795 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 6.928 -0.675 -0.790 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -0.013 4.804 5.069 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 -1.169 -6.005 -6.647 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -0.483 6.437 -8.596 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 4.297 -17.212 7.317 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 -0.227 -1.189 6.646 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 -1.308 9.492 16.515 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 3.012 6.980 2.399 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 -4.300 -6.973 -5.031 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -1.490 -17.316 -15.444 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -17.560 -8.384 26.051 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 -1.151 0.183 0.508 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 -10.179 3.259 8.037 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -3.453 15.853 -12.000 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 1.544 0.407 -1.915 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 30.399 -5.082 -23.719 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 17.822 -2.660 -14.634 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 7.012 0.634 0.025 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 0.748 1.731 1.514 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 11.246 2.131 8.522 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 -7.297 -4.599 -6.237 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 -34.160 -3.415 -0.660 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -19.000 -8.068 -8.993 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 2.309 -0.104 -2.496 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 9.858 5.294 19.998 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 12.190 -3.537 1.921 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 7.600 1.187 3.336 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 -13.280 8.946 0.447 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 4.533 -6.121 -0.006 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 0.417 -0.335 -1.444 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 -11.895 4.310 -8.458 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 0.285 -1.270 -15.572 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 1.842 -0.228 0.184 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -4.379 9.655 2.758 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 14.247 -9.287 -14.976 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 1.461 6.296 0.202 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -2.663 -0.660 17.203 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -15.163 -10.141 4.264 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -0.134 1.365 3.213 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -7.010 7.348 1.653 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 22.115 -12.899 4.044 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 6.409 0.829 3.629 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -9.180 -10.167 -5.724 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 -10.104 2.232 4.348 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 2.334 4.068 6.517 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 -3.970 17.142 1.693 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 9.365 -9.260 10.102 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 -1.626 -6.583 5.487 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 9.530 -31.421 -7.733 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -13.107 5.451 -2.688 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 7.702 -0.781 -1.088 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 11.450 -3.639 6.820 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 5.807 10.311 1.786 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 0.998 1.723 0.932 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -13.137 5.945 -11.599 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -8.638 14.099 -11.572 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 1.944 -3.314 0.039 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 -0.840 -20.726 12.294 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 23.122 -12.628 -10.488 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 6.879 2.243 6.346 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 18.354 -2.952 6.707 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 14.369 4.157 8.346 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -0.762 4.836 6.139 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 0.868 9.021 8.669 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -0.337 -0.502 25.894 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 0.822 -4.971 -1.534 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 0.357 3.922 12.569 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 9.145 -5.927 1.193 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 1.181 -4.821 -4.586 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -0.168 2.881 6.283 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 -2.114 -11.526 17.954 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 0.385 0.232 1.036 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 1.924 -13.871 0.941 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 9.022 -8.888 3.008 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 -1.966 -0.914 1.226 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 -1.355 -38.593 -21.988 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -0.900 0.961 -5.136 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 3.429 -0.064 -0.397 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 1.925 0.889 1.533 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 3.446 -3.196 0.306 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 -4.489 -0.221 6.955 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 3.640 -9.444 -5.886 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 7.109 8.748 7.107 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 1.813 -1.735 -3.187 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 3.425 -6.651 14.207 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 5.896 -16.569 -4.522 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 1.690 -2.388 -4.428 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 11.842 -0.900 -9.372 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -3.413 -10.991 -10.190 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 2.907 -3.020 -5.942 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -9.744 5.039 24.480 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -15.137 -4.369 -8.975 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 -13.482 0.003 0.243 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -3.198 11.299 2.115 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 -11.510 -6.310 -3.513 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 -1.752 -5.294 0.842 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 1.933 3.596 13.869 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 14.432 -11.602 -0.633 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 2.043 -9.859 0.766 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 10.345 1.525 4.074 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 5.125 1.824 -9.517 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 2.506 0.915 -3.194 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 2.708 3.603 -0.311 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 2.188 2.971 0.842 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 4.518 0.588 2.173 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 -8.654 7.469 1.464 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -12.932 9.539 1.414 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 4.287 5.700 -5.969 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 4.313 2.179 2.951 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 7.026 -1.445 0.926 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 8.353 9.224 0.065 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 2.162 2.052 10.519 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 36.565 20.459 -16.312 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 -2.619 -1.673 -0.298 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 6.516 -12.462 -4.805 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 -23.310 -6.760 12.187 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 -2.770 7.485 7.775 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 -13.737 1.431 23.633 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 13.575 -4.010 -7.274 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 1.482 8.309 5.617 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 1.792 1.405 -1.909 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 5.000 -5.548 -9.179 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -3.702 -11.327 -0.866 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 -12.574 -8.100 5.045 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 14.636 -11.544 25.348 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 -0.015 0.023 -4.746 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 -0.826 4.803 -17.346 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -2.658 23.528 -21.626 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 5.866 -1.502 2.121 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 16.739 7.744 5.262 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 12.932 -4.850 11.284 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 -0.559 -1.337 -6.681 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 13.597 -1.851 -5.438 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 1.679 -2.307 -9.437 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 3.526 -0.690 3.924 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 -9.580 -10.694 0.386 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 6.834 -14.874 3.491 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 0.534 -3.121 0.797 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 15.280 -17.289 -14.454 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 -10.628 6.790 9.452 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 -4.459 -1.061 0.216 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 9.582 4.930 -5.919 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 -11.236 10.205 2.647 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 -0.762 3.075 -2.037 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -9.443 -33.163 -0.537 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -4.780 -15.704 -2.684 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 3.685 -4.935 -4.699 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 -12.899 1.157 15.093 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 3.293 6.136 -8.681 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 0.047 -4.071 0.715 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 8.788 -9.716 4.476 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 -7.948 -3.093 -1.896 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 0.530 -8.326 -4.406 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 0.312 -11.959 -7.818 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 0.601 -13.153 -9.019 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 1.251 3.478 -1.471 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 -4.007 1.228 -1.990 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 10.556 18.376 16.306 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 4.921 -2.029 -6.773 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 -25.611 -30.967 15.638 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 -20.357 -7.576 -2.055 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 6.314 0.102 -4.387 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 3.859 -12.546 10.612 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 4.099 -5.504 2.776 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 1.383 -3.870 -4.741 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 26.061 0.065 -14.579 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -7.301 -6.779 -3.134 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 1.170 2.426 3.595 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 17.126 -6.407 -3.765 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 -14.724 -19.976 3.631 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 3.945 7.100 1.196 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 9.132 9.922 -2.654 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 1.477 5.687 5.873 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 0.243 7.469 -1.032 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -20.796 -5.402 1.725 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 -12.567 17.739 11.263 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 1.718 6.411 -0.123 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -9.224 -2.006 -8.816 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -13.407 1.726 -1.204 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 0.640 1.354 -3.331 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 1.643 -5.520 4.091 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 23.997 -11.477 -9.852 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 -9.117 6.929 -3.968 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -10.828 5.466 -20.518 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 4.913 -0.458 -6.324 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 0.214 -1.752 2.766 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 0.921 6.823 -6.242 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 17.274 -26.813 1.127 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 5.427 1.003 -2.249 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 7.652 0.276 -7.491 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 10.111 -0.556 -4.143 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 4.585 4.820 6.293 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -8.899 -2.051 -5.479 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 3.458 -8.968 17.729 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -1.599 -0.009 -4.917 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 9.439 3.446 -4.374 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 -3.112 1.367 -6.754 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 3.807 -0.762 2.043 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 3.246 -1.756 1.166 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 -22.701 -7.466 10.204 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -3.237 -1.056 2.512 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 12.035 -0.411 -11.277 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 3.449 -14.776 5.600 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 0.699 1.828 -1.202 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 -12.354 6.074 5.901 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -27.812 -3.472 4.426 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 1.586 2.696 -3.795 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 4.458 -9.606 6.176 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -0.566 7.526 9.999 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 2.538 -2.216 2.499 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 9.968 -0.279 12.612 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 9.432 -17.767 -12.630 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 8.449 -5.714 -0.383 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 8.976 -1.193 -4.356 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 16.930 -9.079 -11.393 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 0.195 -3.773 -2.899 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 1.008 30.098 6.197 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 13.755 -30.405 25.978 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 -1.751 -2.712 -1.085 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 -8.746 -0.620 0.681 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 -8.763 20.727 -3.887 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -3.946 0.664 -5.070 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 -10.645 14.647 23.705 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -3.228 12.714 -6.636 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 1.074 0.823 -2.121 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -7.234 8.052 3.239 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -5.379 -8.761 -5.919 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 1.987 5.012 -2.558 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 15.291 2.689 -15.072 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 -5.266 -14.138 -9.601 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 -11.733 4.351 -4.156 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 6.353 7.603 5.390 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 0.031 -1.231 -10.681 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 -3.840 0.094 3.140 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -19.389 6.419 -10.015 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 -0.096 -4.404 -4.342 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 1.798 1.865 -3.077 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -0.329 -9.386 -8.024 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -2.788 10.294 3.154 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -7.653 -5.319 -7.491 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -3.650 1.262 15.403 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -12.077 -5.551 13.048 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 1.820 -0.515 8.159 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 -5.053 -5.687 -0.196 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 16.853 4.632 15.651 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 2.309 2.448 -1.410 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 2.533 10.322 -10.016 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -12.403 16.531 11.852 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 4.555 -4.239 2.837 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 -3.173 -6.469 8.311 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 5.222 -2.806 5.257 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 0.877 -4.613 4.979 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -2.722 5.345 14.858 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 -11.598 4.600 12.806 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 2.737 -2.245 10.434 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 12.313 -2.025 5.313 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 20.352 1.929 4.792 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 -1.367 -2.915 -1.262 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 9.872 -5.760 17.126 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 -19.987 14.345 -30.395 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 -7.048 0.175 -5.100 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 -21.195 -5.391 -13.077 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 22.846 9.959 -2.627 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 4.751 4.738 -3.612 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 -10.720 11.360 0.014 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -2.103 11.808 2.138 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 0.964 -6.037 -6.185 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 23.492 -13.369 -6.648 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 -12.031 -25.918 -3.335 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 1.723 -2.135 -6.104 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -3.770 4.074 0.766 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 -0.051 3.347 0.718 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 -2.930 -3.478 2.772 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 -30.270 -13.058 15.115 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 4.237 10.219 -5.066 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 -1.957 1.540 7.395 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 9.642 -5.479 10.970 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 46.649 12.976 11.847 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 0.915 4.978 -3.030 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 8.402 8.007 1.583 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -4.973 2.783 3.902 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 4.004 2.169 -1.631 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -2.026 -24.945 0.509 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 -10.881 11.702 9.632 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 2.561 8.245 -2.893 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 0.279 20.889 8.437 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 1.656 3.258 -4.195 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -1.643 8.900 5.942 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 -6.719 -3.053 6.586 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 10.674 3.631 3.607 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 0.985 0.162 0.363 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 -0.971 2.424 -4.514 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 0.697 -10.743 18.386 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 3.351 -6.608 -1.355 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 14.822 10.083 6.431 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 3.057 25.711 3.299 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 1.500 -5.981 2.713 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 6.155 -5.005 -4.179 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -9.724 -8.295 12.894 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 -3.438 -4.504 0.827 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 28.963 1.238 -4.503 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 -2.387 -3.129 -14.347 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -1.055 0.281 -0.692 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -9.936 -4.603 -6.615 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 1.832 -0.181 8.155 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 -2.578 2.130 0.458 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 11.207 20.742 1.156 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -31.037 11.235 -6.589 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 5.630 1.808 1.951 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 21.180 9.076 -3.082 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 0.390 -1.704 1.447 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 2.256 0.312 0.482 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 16.482 11.135 -2.775 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 -6.773 0.469 -17.135 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 2.810 2.664 0.197 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 4.518 -1.070 3.146 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -3.926 -21.751 10.208 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -3.701 -1.255 2.626 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 -8.816 -36.699 -0.588 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 -10.634 -13.527 -2.606 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 -0.966 7.671 1.647 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 6.290 4.355 -2.305 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 24.129 10.460 -23.779 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 -0.837 3.170 0.460 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -13.431 -1.359 -7.378 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 11.868 -7.350 -4.479 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 -0.007 3.727 -5.816 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -1.181 -1.721 -22.304 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 12.386 -12.974 -5.918 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 2.127 4.358 4.929 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 9.348 -2.849 21.656 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -28.829 7.536 1.495 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 7.956 4.866 -7.838 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 7.572 -0.554 -8.678 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 32.501 -19.179 -12.423 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 -3.860 -1.183 5.122 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 6.228 -5.013 10.378 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 -7.090 4.713 24.580 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 5.567 -2.645 3.660 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 5.739 3.877 3.224 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 0.646 9.008 15.269 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 1.555 1.009 -7.926 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 1.032 -4.828 -13.167 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 14.826 -7.958 -27.732 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 -2.644 -4.805 5.054 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 14.871 -20.088 22.283 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 16.671 12.081 -20.387 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 7.858 4.172 -0.480 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 2.442 -28.691 27.854 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 10.675 28.924 18.096 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -6.843 1.878 5.718 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 26.385 8.137 -2.409 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -16.617 6.347 -2.362 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -8.055 4.161 0.094 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 8.679 -10.915 -13.533 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 10.676 11.618 9.046 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 0.306 -0.310 -1.375 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 -6.335 -0.205 15.343 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 1.337 4.453 2.923 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 -2.719 -2.999 0.463 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 -8.662 -9.094 8.536 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 -1.461 -7.382 -18.831 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 3.585 -1.278 5.621 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -1.678 -1.725 8.653 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 0.370 -11.024 17.499 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 5.442 6.712 2.758 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 2.571 -14.211 -10.297 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 25.637 16.166 -7.369 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 2.842 -5.461 3.529 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 -13.439 -11.796 -11.344 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 11.514 9.184 11.043 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -0.869 -1.726 -1.526 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -19.271 -24.811 23.796 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 -4.875 -5.516 13.988 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 -0.991 -1.207 -5.417 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 -23.404 1.251 -19.750 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -13.142 12.379 -25.734 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -1.188 1.448 4.692 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 2.365 19.118 18.334 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 13.252 -3.458 6.019 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 4.295 -1.306 4.421 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 11.550 -3.336 -11.753 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 12.602 -0.080 12.104 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -2.674 -2.376 0.164 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 -19.597 -12.819 9.940 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -1.666 -13.044 -13.072 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 6.357 1.513 -0.437 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 20.189 -13.958 19.424 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -12.416 15.545 0.506 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 1.963 -5.059 5.873 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 8.759 15.392 26.956 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 -14.754 8.175 8.531 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 -2.876 -0.262 -6.419 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 -16.626 -23.329 10.943 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 -9.779 6.717 8.562 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -3.285 -7.875 7.905 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -14.015 15.920 15.547 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 16.758 -8.091 -11.274 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 -2.884 -0.801 -0.581 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 -24.118 9.825 -12.965 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -9.656 1.264 -4.362 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -2.434 5.136 0.697 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -7.982 -1.836 10.208 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -23.012 -30.067 -19.338 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 4.128 2.048 -0.537 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 6.773 3.588 -2.821 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -2.790 -3.529 -4.241 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 0.857 0.756 1.437 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 5.079 10.017 -5.515 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 7.534 -5.656 2.386 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -4.306 3.212 -3.538 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 -6.102 -8.583 -8.874 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -6.572 -19.977 -8.898 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 7.668 -2.612 -1.990 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 12.472 -4.625 -1.437 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 -11.113 4.620 -3.918 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -6.177 0.596 2.830 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 -22.115 -7.378 2.080 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 2.802 13.413 19.687 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -0.966 0.400 -5.897 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -6.120 -1.590 -12.290 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 2.622 -9.872 -1.924 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -2.774 0.711 4.869 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 -11.410 -3.889 -18.682 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -11.648 0.319 4.918 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 -1.673 4.423 -0.117 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 9.408 1.569 -2.468 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 8.637 16.667 3.082 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 6.641 3.001 -0.095 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 7.490 9.073 9.096 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 15.510 -17.810 9.059 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 7.863 6.538 -0.447 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 22.086 2.988 20.400 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -43.359 -3.961 -17.054 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 -10.462 -2.337 -0.261 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 -15.452 2.475 -8.974 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 -14.651 0.361 -5.682 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 -0.872 4.130 0.008 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -5.452 11.738 12.518 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 9.949 -14.130 -1.839 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 -1.092 4.524 5.341 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 -15.076 28.078 -17.640 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -8.302 -1.823 -20.014 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 1.614 4.285 -3.103 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 21.848 -18.826 -6.198 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 27.475 8.574 -1.323 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 0.657 -9.514 -3.015 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 10.411 -4.196 -12.906 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 1.141 6.741 5.664 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 1.395 -5.600 -6.739 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 -2.255 -9.086 -3.033 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 4.947 -0.394 -2.415 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -0.208 2.945 -2.545 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 -20.224 5.126 -6.418 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 4.777 12.620 -16.826 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 -0.856 -6.128 3.640 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 -1.264 -22.561 23.579 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 0.293 -4.113 -3.604 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 -10.332 3.274 2.521 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 -18.747 13.130 15.980 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 -7.451 0.305 -2.626 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 0.532 1.721 -8.400 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 9.834 -10.155 -8.046 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 24.513 6.984 29.252 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 6.996 -5.240 0.368 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 12.186 6.425 8.412 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 21.242 1.748 -5.485 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 0.182 -7.799 5.303 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -4.336 15.862 11.145 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 -18.839 3.625 28.646 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 2.980 0.387 -7.515 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 9.456 4.354 11.347 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 5.737 -4.583 -3.456 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 -0.155 1.832 -1.958 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 1.186 -14.576 -14.854 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 -1.067 -3.683 -0.034 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -0.032 -5.928 1.276 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -1.290 -16.760 11.078 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -3.844 6.359 8.621 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 2.001 -1.952 -0.386 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 0.725 2.010 3.356 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 6.361 -8.545 -25.593 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 1.647 -0.363 0.081 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -0.820 -8.211 -10.288 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 4.814 9.903 14.173 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 -6.112 -6.048 -2.700 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -19.979 -5.648 5.780 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 2.314 -3.374 -9.645 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 1.427 0.890 -2.329 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -0.005 19.128 -16.431 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 -3.993 -3.133 -17.105 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 -6.395 -3.415 0.696 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 5.067 -5.300 -12.508 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -4.759 -4.234 -1.960 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -3.120 0.761 0.781 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 -19.363 12.771 24.028 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 9.530 -16.628 -21.393 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 3.690 -1.427 3.359 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 -29.234 -14.456 15.136 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 10.957 3.418 17.188 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 -1.313 1.903 -2.634 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 12.244 -0.757 2.824 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 -1.769 6.626 6.602 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 0.004 -4.097 7.181 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -15.060 -3.603 -11.967 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 -9.145 8.493 -22.494 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -5.376 -2.331 5.133 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -1.630 6.080 1.799 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 -28.475 -4.669 -16.135 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 -8.924 -7.297 -0.137 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -9.737 -7.242 0.647 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -15.728 0.385 4.678 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 0.366 -0.487 -0.269 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -11.980 -0.788 -1.572 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 -8.714 -1.346 -2.873 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -1.439 -2.064 3.509 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -1.439 7.440 -1.029 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 -8.499 -9.491 13.020 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 -1.250 0.646 7.104 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 0.642 5.722 -11.305 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 6.609 16.336 1.267 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -3.710 -6.607 0.594 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -29.640 26.186 -6.072 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 30.562 5.833 17.205 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 -2.051 4.138 3.106 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 6.902 7.547 0.497 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 -1.933 10.037 1.253 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 -5.645 -1.704 -10.937 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 9.005 12.802 -4.847 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 7.122 12.919 -0.171 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 4.428 1.436 9.597 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -7.654 -2.630 0.580 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -13.578 -3.815 -3.049 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 1.038 -2.472 7.736 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 1.262 -2.020 7.788 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -2.729 -13.482 -6.538 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 5.760 -5.499 -1.785 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 -1.148 13.900 -7.314 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 8.229 -6.353 -0.664 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 4.256 2.819 -2.396 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -8.089 2.803 12.535 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 5.168 20.251 -8.054 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 -4.982 1.627 2.800 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 -5.643 7.401 -6.827 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 -1.949 -9.614 22.854 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 6.053 -0.874 1.739 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 14.593 -12.917 -3.794 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 11.883 -15.524 -4.680 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 7.244 -4.941 -2.500 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -5.195 9.710 -1.674 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 7.468 -14.921 -30.970 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 -2.760 -4.791 1.184 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 -19.221 -13.816 -3.502 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 3.531 -3.228 12.762 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 1.026 -3.053 0.948 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -9.978 1.532 -13.070 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 17.739 -0.160 -6.109 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 1.466 -6.268 7.228 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 27.224 1.422 -1.437 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -2.497 12.259 -8.649 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -6.431 3.507 -0.543 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -5.969 4.945 5.721 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 7.332 -7.501 -11.351 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 1.539 -0.373 1.677 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 4.298 -2.079 21.129 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 25.688 -9.532 20.067 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -5.740 1.437 0.852 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 23.911 -8.142 -19.457 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 17.889 -5.138 20.410 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 -1.725 3.233 -5.435 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 -7.359 19.482 6.009 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 13.779 7.015 -7.626 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 1.426 1.060 2.479 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 4.852 5.716 -11.522 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -3.656 6.041 2.152 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -4.500 -4.541 4.471 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 13.321 -9.538 -5.936 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 17.677 -0.081 -4.740 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 1.483 -0.003 -1.817 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 17.128 -11.509 -8.466 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 -7.441 -10.520 13.274 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 0.002 2.025 -0.171 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 1.302 0.066 -10.587 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 -1.929 5.196 -6.056 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 -2.282 -4.095 -2.386 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 16.859 -2.732 18.631 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 -8.909 7.450 -11.338 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 -1.559 1.827 -1.391 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -21.547 -2.951 10.495 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 -10.821 0.724 4.116 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 1.794 -2.949 3.389 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -29.105 -0.038 13.231 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 -16.929 -1.438 -9.964 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 -6.424 -1.590 2.770 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 4.502 11.599 -0.600 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 12.317 -16.841 -3.787 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 6.437 -4.028 0.784 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 -4.026 -16.427 -4.104 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 -13.821 -29.408 -9.233 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 0.171 1.871 3.864 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -17.357 -15.400 10.383 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 0.929 6.994 0.504 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -0.932 -0.056 -8.170 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -9.714 -6.851 1.607 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -5.347 0.927 -5.112 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 4.814 1.904 -2.563 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -28.248 8.845 -8.158 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -29.299 -6.137 -6.706 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 -3.765 -4.437 2.777 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -8.355 4.931 -4.026 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 5.045 6.716 7.804 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -0.826 -7.130 1.763 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 -9.026 -0.101 16.285 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 -15.479 -9.447 11.938 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 0.388 5.726 5.295 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -13.684 3.454 -26.623 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 1.011 14.789 18.747 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 -1.129 -0.315 -1.965 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 -0.695 -4.084 -0.788 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 8.732 1.814 -0.870 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 -4.500 0.837 9.580 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 2.739 -9.309 9.562 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -23.224 -2.207 -6.419 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -6.193 -1.201 -5.258 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -19.509 -7.267 -2.088 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 11.140 16.926 4.965 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 3.403 -0.981 -1.804 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 9.067 -14.639 0.509 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 15.972 8.397 0.390 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -2.474 1.351 -0.116 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 -10.171 4.463 -8.146 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 11.599 -3.573 14.131 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -3.710 -1.526 -0.791 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -8.100 8.852 14.647 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 -5.638 20.146 11.825 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 -1.538 8.413 0.766 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 2.331 14.605 -9.796 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -27.471 -7.463 7.475 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 3.320 -12.351 -1.216 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 -12.412 2.270 28.321 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 30.714 -15.280 -31.942 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 7.588 -4.759 -4.727 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 17.271 0.913 5.731 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 -7.912 -28.678 1.521 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 5.075 8.836 -4.581 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 5.901 17.596 0.618 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -25.822 -24.768 -3.512 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 4.706 -0.540 -1.279 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 5.805 -4.572 4.481 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 5.329 -3.933 -1.845 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 1.536 4.504 3.211 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 -1.883 12.226 10.067 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 2.686 8.505 -1.255 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -1.346 2.003 1.928 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -1.323 3.911 4.046 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -1.400 4.058 3.792 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -4.666 1.818 -0.159 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 7.865 12.916 -8.246 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -18.903 -7.942 -11.678 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 2.623 -1.303 -3.210 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 10.590 2.792 1.984 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 0.870 -2.467 -3.659 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 -4.157 12.056 -1.412 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 3.646 8.746 -0.248 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 -2.320 7.565 7.607 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 0.654 0.292 2.517 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 19.463 -0.924 -9.290 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -2.918 -6.071 -3.020 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 -0.275 5.099 -0.308 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 -5.728 25.992 -8.123 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 -17.651 6.840 -5.790 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 -4.381 -1.989 6.978 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -15.346 14.184 9.822 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 -0.959 -1.288 -12.401 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -4.826 3.022 -3.175 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 10.185 2.048 5.227 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -5.472 10.409 -13.452 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 3.504 4.157 1.571 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 12.978 8.241 -6.565 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 -1.864 0.599 -0.669 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -4.748 -6.727 -2.970 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 1.452 -6.153 -1.976 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -25.807 -8.357 -22.701 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 5.932 1.451 -1.569 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -5.066 12.996 -18.963 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -5.024 7.968 -14.755 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 2.047 5.605 -1.144 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 -0.360 11.846 4.592 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -20.260 13.504 25.929 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -2.321 2.346 5.771 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 5.921 6.999 -24.302 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -20.978 24.806 6.473 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 5.945 -0.850 -8.475 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -5.495 -19.586 -14.609 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 2.549 7.359 7.752 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -5.128 -3.298 0.962 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -15.390 1.877 -6.640 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -8.246 -11.528 13.780 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 3.911 1.042 -0.508 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 8.601 36.629 7.882 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 1.773 -9.751 20.294 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 2.104 2.240 3.102 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 -7.859 4.353 12.729 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 -3.665 -9.075 0.985 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 2.371 -0.423 1.081 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 15.819 -6.706 -1.574 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -7.532 -5.017 -5.666 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 7.496 -4.677 1.110 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 -3.812 -7.037 2.613 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -17.980 9.395 -2.681 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 -1.301 1.449 9.242 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 5.162 7.992 -0.821 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 -8.649 -7.333 2.560 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 -6.145 -3.623 -6.773 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 -9.734 -1.483 -15.309 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -3.598 -10.147 9.908 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 3.007 -3.086 -1.410 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -6.710 -2.446 -10.846 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -12.269 -10.462 -14.445 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -4.260 4.964 -3.980 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 -22.145 26.192 -15.843 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 8.220 -19.968 1.553 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 2.738 0.621 2.953 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 -18.244 31.237 16.799 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 -4.655 11.136 15.714 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 2.579 2.785 -1.019 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 6.376 5.577 -8.528 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 -24.157 17.602 -1.987 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 0.217 5.821 3.368 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 -4.428 6.141 1.574 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 -31.775 5.695 5.565 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -1.734 6.542 -2.850 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -0.128 3.802 1.636 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -9.036 10.568 0.501 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -3.671 -3.830 -2.615 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 -14.250 -3.653 4.280 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 7.151 -10.421 -8.177 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 3.260 -3.361 -0.757 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 -1.951 -1.359 -2.135 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 6.560 5.401 -2.551 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -2.252 -2.978 4.121 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 0.657 15.109 -2.403 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 -21.059 -21.305 -2.786 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 5.091 -0.799 3.484 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 25.469 25.194 -4.891 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 22.789 7.126 18.073 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 5.498 -1.211 -0.205 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 34.133 -7.854 18.277 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -10.060 13.518 9.686 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 3.935 -2.901 4.311 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 20.365 -17.511 0.293 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -3.907 9.242 3.764 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -1.699 -0.069 6.534 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 -14.245 13.187 -23.904 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -5.710 -8.118 -23.710 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 4.791 3.266 -0.075 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 4.606 0.782 -3.262 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 4.450 -2.725 1.892 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 0.904 2.162 -0.549 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 -7.429 -7.938 -3.881 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 1.734 10.613 6.262 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 5.288 -2.160 -1.720 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 -2.621 13.784 -19.562 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 13.080 -5.482 -0.778 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 -6.006 2.217 7.399 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 -6.841 -11.050 -11.531 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -16.211 1.968 1.580 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -3.611 -1.078 1.565 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 1.430 -0.517 14.175 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 -1.941 0.319 -0.518 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 -4.418 3.289 -1.713 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 -2.251 -1.651 19.842 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -2.214 -1.516 6.551 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 -1.475 4.205 -1.388 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -7.354 1.664 -11.623 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 2.860 -6.347 8.702 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 0.824 -1.432 -1.760 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 0.530 4.990 2.114 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 4.318 -13.274 -8.120 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 -0.364 -5.743 4.793 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -35.748 6.551 -8.622 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 7.646 -7.942 8.525 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 -3.809 -0.347 -0.212 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 16.412 -3.889 12.350 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 18.591 -4.087 13.932 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -1.152 -2.538 2.213 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -1.963 -7.622 5.092 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 -9.581 -1.056 4.526 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 -0.278 -5.489 -0.605 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 10.329 -19.249 6.628 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 -0.869 0.149 -6.583 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -5.558 -3.966 -2.296 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 -2.842 -3.838 3.845 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -6.808 -6.025 -7.132 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 4.047 -2.508 -1.245 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 -5.422 0.984 1.486 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 11.321 13.814 -6.666 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 -3.464 6.175 -1.121 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -6.280 5.274 0.594 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 -5.991 1.032 -19.736 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -2.020 0.629 -0.171 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 -5.512 0.277 3.872 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 -0.645 4.999 14.665 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 3.393 0.070 -0.374 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 17.789 -2.660 1.615 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 18.166 -13.108 0.294 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 -1.608 -3.356 2.692 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 13.593 2.666 6.832 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 7.117 -15.133 6.679 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 -0.188 -1.854 -1.127 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 0.007 0.966 -8.679 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 14.748 4.561 12.071 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 -4.208 5.995 -6.861 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 14.786 4.743 25.794 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 0.628 -10.243 -19.539 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 0.706 -3.790 2.795 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 -1.385 20.142 -0.563 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 -0.377 -10.009 -4.738 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 3.903 1.835 -3.670 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 0.816 6.602 -2.774 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 12.915 6.994 -8.749 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -6.922 6.954 0.538 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -1.461 -8.817 -7.708 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 1.298 6.444 20.732 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 -6.228 1.881 -1.125 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 1.365 -8.904 -25.137 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 10.083 7.400 19.161 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 -3.730 2.826 -3.202 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 2.467 -0.637 -3.108 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 -9.165 5.896 -3.071 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -1.491 -6.142 7.737 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 1.077 -4.111 4.060 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -8.490 23.553 13.801 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 6.637 -3.800 -0.637 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 10.643 1.597 6.883 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 2.737 -25.759 -12.521 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 4.139 -6.061 0.737 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -10.782 20.017 6.620 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 -2.206 -5.252 -2.693 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 3.027 -4.844 -0.776 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 -5.567 -5.844 -0.761 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 2.874 -26.201 17.155 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 0.713 1.863 5.569 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 -14.233 22.871 11.371 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -0.884 1.034 -15.764 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -2.814 -4.273 -0.414 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 -11.349 4.641 1.129 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 -3.884 -2.681 14.714 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -2.594 10.698 7.314 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 8.919 3.104 10.167 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -6.296 2.520 -3.827 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 0.560 -5.336 0.443 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 1.485 -5.047 3.668 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 2.156 -3.520 0.669 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 3.743 4.574 -1.344 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 6.473 8.572 4.579 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 13.991 -3.874 -3.933 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 -2.756 -2.531 4.197 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 10.021 -3.277 -2.359 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 3.064 0.804 4.731 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 1.480 -5.071 5.230 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 -1.517 -10.493 6.789 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -6.177 2.034 -4.499 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 0.378 -3.076 4.307 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 19.383 1.013 8.640 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -0.970 -2.716 -1.549 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 6.763 7.703 4.655 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -4.641 8.722 -16.835 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 17.319 -11.387 5.846 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 2.271 1.534 -4.934 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 -7.130 11.883 9.581 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -9.217 8.066 10.153 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -8.481 -4.504 9.477 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 4.765 3.118 -13.366 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 -7.993 -1.224 0.594 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 -4.186 -2.416 3.108 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 -3.763 -6.288 4.866 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 -3.439 -10.864 9.945 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 8.613 4.335 -5.982 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 11.835 1.576 -12.312 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 3.398 0.463 -14.381 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 2.535 0.496 2.548 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 -1.750 11.759 -10.351 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 12.957 -5.934 24.586 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 -2.280 -0.443 -2.025 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 -1.622 -0.322 -10.442 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -3.009 -0.456 -4.345 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 2.716 2.983 4.051 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 9.968 -5.104 6.714 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -25.659 7.407 -23.915 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 1.822 3.747 -6.944 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 0.930 2.953 -1.323 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 0.375 4.219 -3.183 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 -1.705 -2.363 3.144 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -7.607 -8.471 2.198 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 0.491 7.586 5.486 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 9.681 -6.091 0.385 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -1.978 25.655 4.945 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 -4.361 -21.885 7.178 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 -4.858 4.515 -9.714 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 -2.447 -0.017 -13.007 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 10.179 -9.245 -10.675 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 5.828 -0.412 -0.589 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 18.826 -14.961 -2.617 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 5.388 -4.585 -6.003 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -3.603 5.534 4.243 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 -5.899 -0.924 9.422 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -3.259 13.443 9.935 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 3.587 -7.284 7.192 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 -8.331 -1.634 2.607 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 4.283 -16.631 -5.028 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 6.052 1.558 3.859 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 22.072 -7.732 1.924 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -3.153 4.208 3.241 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 5.405 3.240 4.082 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 10.422 6.314 7.321 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 14.921 9.599 10.426 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 -2.057 -5.320 4.329 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 1.170 -8.157 8.991 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 -5.698 -11.462 3.297 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 -1.620 3.103 -11.489 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 18.908 -9.607 -21.094 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 24.402 -3.419 -0.676 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 5.571 0.772 -1.468 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 10.423 8.910 26.274 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 6.798 -13.813 24.935 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 -0.406 4.688 -5.658 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 18.190 2.327 3.353 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 10.760 14.316 10.322 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -4.219 4.322 2.197 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 4.260 -5.792 -7.827 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -4.068 -1.799 -9.812 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -1.097 1.404 3.768 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -1.420 5.278 8.144 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -14.028 8.223 10.090 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 -3.623 -9.766 1.627 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 -29.044 -16.047 1.424 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 5.060 -9.649 4.832 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -1.717 -1.658 0.577 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 10.932 6.428 4.643 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -15.009 6.225 -3.419 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 1.873 0.552 1.838 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 11.284 -26.757 7.664 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 3.054 -20.203 6.862 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 -2.416 -1.180 0.551 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 -10.946 3.458 -9.896 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -4.800 2.262 -10.354 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 3.600 -0.877 2.516 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -13.487 -15.062 -3.534 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -8.464 18.447 7.712 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 -0.610 2.866 -0.867 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 4.162 -13.793 -6.552 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 -11.895 11.694 -23.348 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -1.872 -3.982 -0.056 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -5.819 -15.728 -4.651 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 4.189 -0.516 -13.359 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 -5.091 1.374 -2.997 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 5.061 -8.148 8.416 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 -1.002 12.686 18.979 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 0.827 3.887 8.192 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -17.646 -26.664 -0.899 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 3.029 -7.387 9.840 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 -2.385 -2.190 -1.238 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -15.204 -6.566 -6.371 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 7.813 6.325 -2.092 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 0.584 -3.423 1.595 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 5.295 -7.087 16.024 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 -0.547 -10.767 2.503 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 -3.006 -0.802 -5.377 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 -2.824 20.248 -31.947 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -5.475 -12.292 24.434 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -1.307 -0.064 3.286 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -4.093 -7.744 10.100 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 -6.023 -13.254 31.430 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -2.219 -7.276 -3.108 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -2.220 -10.540 12.414 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 4.012 3.822 8.424 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -6.321 -4.881 -3.442 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -9.594 -19.874 20.735 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 -7.469 9.366 -26.670 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 -4.904 -1.380 -1.686 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 7.480 12.628 12.783 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 12.699 6.338 16.154 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 1.167 4.260 -3.837 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 5.998 -8.278 -5.363 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -17.511 9.603 3.637 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -2.685 -2.451 8.597 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 -23.934 -0.345 -1.949 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -19.748 20.736 -0.895 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 3.384 4.939 -1.211 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 -0.331 24.989 8.834 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 16.404 -15.656 3.376 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 -2.733 2.700 2.996 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 0.155 15.423 -8.350 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 1.259 6.110 8.625 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 3.036 3.616 -0.937 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -15.146 7.429 5.062 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 16.976 -1.393 10.190 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 0.715 -1.952 -5.955 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -7.330 -11.013 -21.635 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 11.661 13.004 -11.695 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 0.725 3.512 2.975 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -5.855 13.169 1.057 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 11.196 0.620 -30.671 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 0.368 -1.916 -0.777 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 -10.995 -4.808 5.889 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 -11.253 -4.056 33.596 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -1.728 -6.679 0.610 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 -3.726 8.261 -7.484 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -16.818 -1.303 11.282 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 1.125 -6.640 1.614 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 -3.548 -3.596 -12.829 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 1.768 -11.125 8.921 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 5.615 4.012 1.304 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 20.737 -9.249 4.919 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 -8.943 14.474 0.613 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 2.225 1.302 -2.531 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -0.084 8.753 -11.802 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 15.429 -6.850 -10.866 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 -3.107 -3.301 3.159 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -2.678 -5.536 1.606 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 -3.648 3.563 7.530 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 -1.501 0.137 -4.122 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 5.402 -34.417 -8.763 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -23.559 16.881 14.428 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 4.697 2.661 1.836 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -8.505 -3.206 -7.440 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 1.596 4.462 3.014 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 8.344 -7.659 -5.400 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 7.941 7.841 25.499 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 -11.475 -14.541 -47.506 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -1.789 1.828 0.111 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 -16.447 24.748 -1.912 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 20.868 -20.330 -16.885 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 -2.572 -10.582 1.915 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -6.207 7.435 -28.268 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 4.532 9.368 25.842 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 -8.723 1.277 -4.123 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -4.986 -7.505 -12.322 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -9.180 1.843 -7.316 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 -0.192 -2.162 2.248 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 10.147 5.926 -11.755 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -1.220 -10.512 13.489 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 -0.117 -0.195 0.166 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 3.773 19.880 -4.205 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 2.188 14.678 -9.746 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -0.079 -1.904 2.870 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -4.398 -2.456 15.996 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -5.552 -2.464 1.495 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 1.400 3.705 2.980 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 -12.538 -17.747 13.134 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 5.048 17.301 4.663 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -1.657 3.318 2.249 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -0.493 2.508 5.452 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 5.737 7.956 7.443 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -1.555 -1.627 -0.744 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -6.784 -10.389 3.277 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 3.457 7.594 12.700 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 -1.345 5.625 -0.031 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 1.879 6.511 1.805 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 -1.823 -0.163 2.894 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 -3.501 -4.447 0.764 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 -10.231 -12.840 8.060 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -3.864 18.616 -0.341 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 -3.678 4.526 -2.148 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -10.536 6.246 2.096 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -5.396 6.223 0.557 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 -0.013 2.887 -1.710 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 24.315 -6.699 -12.448 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 -19.635 -17.239 -4.620 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 -4.734 -1.567 1.836 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 6.112 -7.240 -12.104 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 -5.800 -4.624 1.271 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -1.675 -0.604 3.730 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -3.282 -8.767 6.317 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 5.148 -1.514 -2.477 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 2.484 -0.022 -1.603 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 4.103 7.614 -1.878 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -2.646 -17.009 -6.290 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 1.701 6.944 3.243 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 -11.988 10.050 22.865 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -9.127 3.341 -7.222 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 1.083 6.507 2.476 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 -18.002 13.119 -5.121 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 19.036 -10.806 3.324 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 -7.386 -0.190 -5.321 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 -19.438 7.739 -13.844 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 -4.892 -10.955 -19.915 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 4.558 0.599 -1.738 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 3.709 2.338 6.382 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 -1.154 -10.431 -8.824 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 9.014 4.099 1.763 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 12.694 0.853 -1.305 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 1.632 1.204 -0.334 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 -1.264 -2.687 -0.378 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 -4.434 1.724 -5.760 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 7.180 -8.966 -12.078 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -6.761 6.618 1.398 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 -4.860 1.948 8.207 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 -7.384 16.799 -3.067 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 -6.089 -8.814 2.287 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 -6.503 -8.856 0.444 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 -0.607 1.657 -3.454 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 7.974 -1.274 -1.698 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 20.968 -18.877 -8.851 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 34.753 -11.024 -6.646 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -1.676 -0.734 -5.834 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 17.329 -5.586 -6.318 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 7.191 18.896 -12.682 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 0.550 -2.340 0.487 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -0.579 -18.776 -11.394 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 2.931 -14.097 13.208 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 1.857 0.303 -2.161 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 -3.947 -17.032 -12.606 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 6.975 -4.017 13.415 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 -1.930 1.756 -0.254 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 -13.622 10.746 25.990 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 0.448 3.105 18.476 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 -0.161 -1.246 -2.060 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 -6.519 -20.682 7.329 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -0.863 -5.799 -6.276 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 4.884 -3.193 8.002 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -13.638 17.240 -0.286 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 7.276 -1.390 -11.822 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -0.901 -6.523 1.193 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 -4.440 -4.195 7.912 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 0.810 -11.660 -34.906 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 0.907 -0.183 8.430 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -20.465 -6.724 35.682 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -10.333 8.401 -12.618 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 1.749 4.343 -1.300 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 6.430 -3.867 6.242 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 3.926 -10.792 18.976 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 4.326 -9.584 8.432 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 -14.264 36.319 -3.024 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 4.423 1.532 -41.551 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 0.413 -2.479 1.942 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 -6.862 3.404 0.261 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -4.858 1.453 -0.151 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 5.241 5.738 2.184 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -2.857 -10.165 2.963 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 -11.199 -12.392 6.513 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 1.208 -0.516 -5.370 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 12.166 -18.426 1.624 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 -1.043 -1.312 -15.337 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 2.769 1.103 -0.282 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 43.311 -6.536 8.227 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 -7.332 -12.653 21.216 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 2.483 0.463 -0.029 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -0.738 14.470 -7.464 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 5.777 -22.071 11.871 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 0.859 0.262 -5.566 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 8.880 3.089 -6.623 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 1.875 -14.060 -2.455 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 11.916 2.934 1.457 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 7.983 -1.575 12.003 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 20.932 11.030 5.092 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 -2.707 -3.770 -3.831 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 -30.944 -4.765 -10.021 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 23.422 -9.283 -23.248 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 3.387 -2.964 2.862 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 0.497 -3.733 5.093 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 4.315 -0.819 10.259 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 1.778 2.401 1.239 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 10.893 -4.469 4.555 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 9.363 0.926 1.720 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -3.081 1.706 5.308 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 -4.774 -11.540 8.063 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 -12.932 2.742 3.887 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 -8.674 4.228 6.589 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -9.800 16.068 13.598 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 -3.898 -14.367 -19.865 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 0.469 7.393 -5.289 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 17.908 3.397 21.939 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 6.152 19.286 -4.269 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 -4.298 4.794 5.860 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 10.672 27.024 16.933 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 -1.806 -5.507 -3.720 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 2.268 -1.267 0.556 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 11.972 5.151 3.882 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 -6.921 4.812 8.024 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 2.869 -1.116 6.574 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 -2.907 17.637 15.140 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -13.431 -6.975 -6.480 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -9.696 -1.985 -1.563 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -4.271 6.404 -7.829 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 2.940 3.080 16.614 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 0.870 -1.131 -1.911 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 3.917 -0.579 3.737 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 -13.254 -10.893 -11.931 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 3.786 -0.570 7.232 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 1.026 3.850 3.749 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 4.828 -0.090 10.508 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 4.331 1.267 2.837 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -4.610 -26.611 15.854 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 12.611 2.642 -0.111 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 5.100 -3.399 0.682 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -0.333 -13.613 -1.627 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 14.862 -3.766 -3.998 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -2.663 -6.395 1.333 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 -2.339 22.218 -8.987 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -6.372 -12.160 -2.951 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 3.163 0.596 2.747 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 0.178 2.252 -10.949 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 10.531 -25.746 0.485 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -0.702 4.183 4.356 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 -2.722 9.855 -10.923 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 1.284 -1.366 -0.412 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 0.835 -4.066 1.698 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 -14.681 2.708 -9.125 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 1.209 -18.168 -6.684 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 -7.025 -1.369 -1.898 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -8.054 -1.252 -4.077 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -3.476 -1.050 -0.726 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -6.156 1.218 1.730 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -7.164 1.603 3.809 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 -12.815 -1.865 4.853 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 4.579 1.321 3.209 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -0.957 -4.804 -3.873 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 -8.420 -23.264 -12.392 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -0.196 7.390 1.790 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -5.625 4.790 -6.418 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 -0.380 2.294 -13.387 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 5.995 1.794 0.326 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 9.770 -14.932 7.353 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 21.519 -7.402 1.209 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 -1.221 2.189 -6.338 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 19.590 6.255 -5.937 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 6.541 1.139 1.256 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -0.288 -3.164 -0.438 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -2.203 -4.911 12.287 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 5.815 9.586 -28.663 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 1.300 6.781 -1.239 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -3.108 13.667 27.446 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 -34.675 7.933 -13.587 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 7.762 6.474 3.659 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 -7.992 24.016 19.123 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 9.295 -10.189 -23.506 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -6.623 6.841 -3.122 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 -8.726 13.161 3.331 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 -2.703 3.536 -5.965 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -0.351 8.678 -4.521 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 17.075 20.296 -3.346 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -4.684 6.451 14.507 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 -10.187 -7.387 2.824 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 -6.822 -8.536 1.751 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 -9.585 -10.699 -7.793 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -1.747 1.118 3.089 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -3.880 23.198 -12.595 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -7.009 -33.010 12.429 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -3.333 7.262 -3.655 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -27.213 10.629 -10.597 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 4.439 4.352 3.315 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 -1.684 -0.166 -1.387 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 10.021 12.047 12.535 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 3.889 7.540 3.050 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -2.858 -0.439 5.193 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 -22.052 -7.398 0.974 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 11.818 -8.250 -0.204 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 1.888 -3.961 -1.857 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 2.044 2.027 1.716 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 10.411 -0.443 -9.178 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 -0.321 -4.847 -6.867 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 -10.251 -6.726 1.744 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -19.367 -11.197 10.904 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 -8.198 -1.190 3.474 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -10.997 14.375 8.824 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -5.078 -2.011 -5.497 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 2.839 -1.719 -1.421 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 -2.486 -18.334 0.151 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 5.723 3.784 13.564 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 8.689 -4.346 3.352 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 10.400 -8.132 7.836 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 4.250 -6.222 -1.247 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 1.171 9.361 3.020 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 1.053 7.680 -0.247 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -0.988 -8.928 28.057 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 -4.027 1.277 -2.273 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 -9.816 5.347 0.565 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 1.526 -11.244 4.261 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 -1.216 -4.794 -3.479 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 7.981 22.407 10.460 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 -25.597 -16.048 0.500 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -0.851 -10.631 -2.608 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 6.027 -13.915 2.151 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -0.659 -10.110 -12.814 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 -3.866 6.761 -4.499 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -11.169 26.735 5.172 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 2.094 28.032 11.786 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 3.431 2.745 6.579 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 22.985 -21.764 -17.100 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 18.050 13.914 -5.775 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -1.624 -0.750 -4.707 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 5.535 2.923 0.176 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 2.887 5.028 -8.515 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 -0.217 4.062 0.511 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 -12.507 3.508 -2.830 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 4.261 -6.905 2.537 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 -1.866 -4.908 -2.668 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 8.516 -4.501 -2.677 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 10.341 -9.514 -0.462 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 -1.043 2.957 -0.903 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 2.413 -0.820 -7.542 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 3.535 -7.196 -15.352 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 4.139 4.076 2.569 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 9.837 8.239 -2.104 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 -9.230 11.606 14.164 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 -3.763 -4.370 -0.490 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 17.647 -10.235 3.336 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 6.499 -5.613 -8.191 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 1.666 -4.177 1.932 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 1.776 0.308 1.107 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 6.515 -30.160 1.937 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 6.732 0.113 2.181 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 7.569 12.151 1.936 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 7.594 -8.592 -10.131 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 10.141 -1.426 -1.921 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 1.723 22.593 -2.594 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 17.995 8.541 -7.448 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -1.555 -0.821 1.289 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 -12.043 -10.273 18.498 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 1.743 1.054 -3.118 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -1.755 -2.736 -5.853 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 5.443 -5.770 -4.276 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -12.723 1.045 -8.163 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -5.079 4.692 1.584 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 5.198 7.485 0.258 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -3.461 -9.731 -10.418 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 -3.307 1.459 -4.396 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 -5.250 -0.205 -21.969 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -22.300 14.061 20.381 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 0.981 0.492 7.064 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 4.009 -0.565 -3.488 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 0.182 -5.983 4.843 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 1.525 3.949 -3.533 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 5.660 23.994 -26.655 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 -3.617 -9.599 9.038 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 -1.357 -0.904 -2.842 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -4.220 4.827 -1.949 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 9.463 -11.679 -4.319 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 2.064 -0.064 -0.998 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 13.993 -28.313 -3.014 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 -6.058 -0.489 -12.897 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 0.937 2.085 4.446 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 -7.255 2.407 11.505 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 -15.512 -14.576 12.269 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 -4.233 8.251 -3.948 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -23.972 -3.295 -18.063 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 -9.358 -4.019 -0.528 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 6.463 -4.194 2.284 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 -1.349 2.546 7.508 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 20.621 -12.833 -8.949 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 1.884 -4.118 -3.986 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -0.608 -6.541 -1.183 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 18.059 -1.959 -0.194 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 1.749 1.219 1.720 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 22.528 12.869 -7.033 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -34.075 -11.925 -2.232 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 1.144 -1.905 2.689 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 6.738 37.842 -7.938 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 1.811 8.237 -0.922 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 1.579 3.088 -7.799 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 -6.031 22.878 6.852 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 25.848 -21.215 -2.182 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 3.993 0.164 1.133 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 1.486 14.348 -7.185 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 3.810 -2.478 2.831 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 9.326 5.782 3.118 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 -7.703 -7.433 -10.083 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -4.181 6.396 -13.181 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -0.706 8.607 -1.321 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 13.599 9.954 26.816 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 8.411 -7.987 6.808 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -2.645 -9.835 -1.667 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 0.918 -13.144 1.508 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 -13.373 5.354 -16.741 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 3.402 -1.921 -1.178 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 4.291 28.342 -4.215 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -2.630 -9.300 25.221 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 -0.557 -2.993 -3.736 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 -2.247 -1.440 -6.805 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 8.599 -23.647 11.162 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -2.589 1.656 -2.906 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 5.737 2.166 -2.950 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -9.111 -4.527 2.916 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 0.461 3.589 2.457 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 11.704 -10.055 3.774 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 -6.620 11.804 13.549 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 3.197 5.784 -0.962 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 4.261 1.272 16.537 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 7.412 16.940 7.118 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -0.290 -0.960 -0.050 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 7.314 -4.922 -0.822 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 -10.513 10.403 -2.234 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 1.145 -4.761 8.238 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 12.014 11.516 -8.404 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 9.861 7.035 -2.379 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 10.291 1.919 0.256 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 19.546 -5.197 1.224 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 8.048 -6.396 19.476 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -0.546 -5.314 -3.151 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 23.837 9.771 -6.833 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 -12.219 -6.758 2.357 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 4.341 5.442 -5.191 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 1.489 5.086 -0.289 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 11.917 9.434 0.048 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -7.854 -3.995 -2.430 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 -1.139 7.755 -15.195 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 -7.614 -21.143 -2.385 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 0.638 -0.229 2.101 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 16.276 1.573 -22.312 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 -3.054 -1.348 3.781 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 0.049 1.116 -5.996 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 22.488 8.741 -12.646 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 -11.909 -26.307 -3.814 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -4.126 4.949 1.797 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 8.151 21.266 4.164 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 19.080 -3.796 -27.326 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -5.607 -4.798 1.407 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -6.693 -16.270 -9.835 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 -3.779 14.113 14.736 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 3.911 -1.742 1.609 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 8.663 16.262 8.925 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 -1.582 12.566 -9.052 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -2.306 2.626 0.188 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 10.218 18.218 3.390 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -8.524 -2.546 -0.666 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 -4.272 1.179 -2.140 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 2.207 -3.694 -16.283 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 -4.440 -5.056 -14.258 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 5.456 6.570 4.193 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 6.891 -7.274 9.447 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 1.290 13.824 14.531 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -0.168 -5.628 -6.362 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 -11.756 17.077 -23.611 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 11.779 -13.655 1.652 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 -6.425 -6.747 -5.287 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 -16.019 -12.142 -9.019 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 -6.639 -2.599 -5.996 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -2.546 8.407 -0.758 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -23.162 0.141 -2.031 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 4.196 11.179 -0.794 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 3.718 -0.813 0.530 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 12.435 15.868 0.651 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 3.091 -2.302 -17.489 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 9.496 3.066 0.982 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 2.242 -26.078 -25.548 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 6.021 -8.286 -9.645 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 1.345 0.414 2.727 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 -0.676 2.043 2.234 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 2.094 -3.431 1.801 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 2.370 -4.855 0.174 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 24.917 -40.348 -4.640 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -11.110 -29.821 1.305 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 6.932 -7.743 9.887 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 14.512 9.687 6.548 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 -18.577 -2.148 -6.284 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 1.606 -6.395 -1.934 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 12.089 -7.537 0.327 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 -3.479 4.445 3.465 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.940 -1.464 0.790 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 19.887 2.701 3.875 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 6.859 3.193 5.366 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 1.376 -0.335 1.695 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 2.558 -4.518 13.267 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 -19.989 -2.759 6.925 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 -6.463 -4.078 0.227 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 2.862 -7.005 -12.466 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 -37.833 3.009 -3.331 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 0.279 4.576 -4.350 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 4.478 -5.535 2.722 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 -19.954 -13.197 5.617 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 3.256 1.625 -0.593 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 12.593 -13.998 -5.444 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -12.313 -7.642 14.316 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 -0.969 3.542 -2.528 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 0.642 4.316 10.998 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 6.044 6.730 -1.914 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -2.308 3.634 4.080 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 -6.278 4.399 3.702 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 -11.034 7.083 6.781 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 -7.228 -5.382 -3.917 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -16.688 4.948 -16.335 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 6.397 -27.880 18.435 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -0.615 -4.323 -1.116 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 7.361 -14.219 26.109 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 -0.284 -5.452 1.473 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 4.303 -0.200 4.691 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 12.346 13.886 -0.147 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 7.685 28.399 0.826 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 4.115 0.250 7.990 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -7.099 -0.457 11.860 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 -18.789 -11.839 2.310 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 -6.463 -2.266 2.171 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 8.396 14.265 7.778 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 -10.519 -17.401 14.572 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 1.142 -2.064 -1.917 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 -3.168 -6.119 -11.071 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -3.647 -6.287 -11.117 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 3.988 5.012 -1.260 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 -17.476 3.386 15.295 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 18.837 -20.837 -8.570 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -1.810 0.063 6.003 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 2.580 6.131 0.460 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 -4.949 -1.099 14.229 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 2.891 -5.266 5.001 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 20.406 -3.869 17.943 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 -8.845 0.925 -7.317 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 -0.352 1.375 -5.915 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 -15.280 -6.467 19.257 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 -12.486 -1.519 8.546 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 5.346 -0.192 -0.068 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 18.798 -7.246 -4.327 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 13.805 -6.414 4.846 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -0.940 -8.895 7.913 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 3.509 8.530 -7.108 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 -21.071 -16.030 5.754 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -5.013 -8.019 -11.105 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 -3.180 2.661 -15.345 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -7.789 -25.046 -20.189 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -0.058 1.892 3.531 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 1.266 -8.019 -19.813 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 -0.874 1.536 0.855 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 4.425 0.990 4.037 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 -9.682 0.073 19.633 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 7.978 14.254 4.834 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 -0.178 -3.086 -3.733 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 4.587 8.121 -1.661 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 -6.226 10.571 1.406 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 -6.215 2.080 0.427 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -7.077 -19.013 -4.497 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 -5.411 4.215 -16.816 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 0.889 0.327 1.368 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 29.021 1.577 -6.086 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 -8.498 26.721 -20.069 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -3.749 -2.077 0.810 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 -2.847 -2.027 0.922 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 -3.119 -8.765 -0.504 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 2.420 5.247 -0.156 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 11.384 10.479 2.383 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 5.274 -5.201 1.061 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -6.794 -3.099 7.458 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 4.362 -12.318 9.144 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 -8.960 10.434 3.108 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 -5.410 -1.539 3.092 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 -6.803 0.506 1.110 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -8.075 -5.553 -2.246 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 0.319 -9.178 -3.694 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 12.128 -12.788 -1.311 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 1.005 -9.796 11.043 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -8.035 -3.561 3.346 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 33.623 0.162 14.034 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -1.195 0.878 -2.904 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 -2.791 1.218 -1.877 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 6.285 -2.352 1.622 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 -6.522 -11.434 -9.159 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 0.655 4.284 -3.538 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -14.748 5.104 -26.169 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 -5.348 3.473 -14.861 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 -6.408 0.218 -3.655 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -3.288 13.348 0.942 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 -16.000 5.959 -13.568 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -2.786 -0.489 -1.429 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 -2.649 -1.897 1.837 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 0.402 1.256 -1.584 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -3.981 -0.626 -1.324 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -8.530 1.890 -7.722 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 -6.996 2.913 7.539 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 2.666 3.129 7.218 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 -0.637 0.022 7.741 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 22.568 17.069 6.020 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -3.693 -1.923 1.418 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -1.982 -4.833 5.310 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 1.428 3.925 5.597 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 2.282 -0.120 3.528 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 2.275 1.810 3.440 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 14.321 17.457 -4.855 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -3.283 -0.153 1.301 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 -9.222 22.045 -5.877 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -16.931 10.892 25.246 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -0.100 0.884 -3.766 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -1.983 -6.838 4.809 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -6.884 8.730 1.162 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 1.842 1.498 3.203 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 11.523 -0.316 1.274 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 5.273 -3.194 2.629 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -0.207 2.710 0.471 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 11.480 -22.035 3.393 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -15.114 12.589 -3.473 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 0.026 -5.317 0.314 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 9.440 -6.363 -2.710 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 -1.559 -11.530 17.326 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 -2.417 1.728 6.699 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 -11.565 -10.466 -8.185 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 -16.220 12.478 13.137 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 6.141 -1.252 -1.378 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -12.723 -10.817 -1.418 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 20.786 -15.454 7.504 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 0.943 7.342 -0.141 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 -6.883 8.433 -1.426 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 -0.027 6.954 6.981 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 -1.404 -4.757 2.387 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 21.287 -1.716 0.841 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 -4.029 -20.913 -10.681 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 -5.851 -3.545 8.018 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 2.299 0.368 3.408 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 -9.138 -12.560 3.637 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -1.513 0.566 2.038 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 17.700 -0.398 9.198 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 -17.684 5.223 -7.814 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 7.431 1.471 -2.533 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 24.152 4.428 -2.937 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -11.247 19.664 5.407 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -7.224 4.889 5.854 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -15.793 -14.876 -27.612 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 -5.873 7.666 9.852 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 -0.427 -0.774 0.406 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 0.165 -15.230 2.913 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -18.622 10.261 -2.805 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -3.211 -9.396 -4.295 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 41.953 -4.630 -20.629 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 -17.192 -10.970 -0.906 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 4.815 -4.508 3.642 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 26.404 0.963 13.913 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 7.208 19.967 -21.616 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 -6.132 5.607 1.304 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 -5.238 -4.728 25.783 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 13.422 19.270 -5.374 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 2.940 -1.905 0.812 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -4.622 -3.111 -8.121 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 3.379 -3.826 -5.366 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 1.128 -6.332 1.501 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -13.730 13.960 3.213 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 -10.604 9.638 2.509 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 2.292 -2.711 6.664 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 -18.225 -22.527 -3.882 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 14.707 2.694 26.603 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 -1.775 0.114 1.457 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 23.361 4.638 -4.304 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 19.607 4.451 19.050 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -4.684 -0.047 -2.835 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -11.322 8.890 -11.170 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 -1.027 5.116 1.417 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 -2.748 -2.946 -5.374 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 -1.172 14.650 1.424 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -8.632 -24.046 3.528 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -5.771 9.032 2.493 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 0.547 -11.616 7.309 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 4.110 -25.892 5.801 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 1.256 -6.618 -7.001 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 -15.077 5.855 -2.038 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 -13.425 1.785 0.930 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 3.234 7.783 4.777 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 13.133 -11.285 2.471 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 9.127 18.176 -10.781 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -5.407 3.609 -0.961 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 12.688 -3.179 -11.434 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 -0.330 22.824 6.116 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 2.443 -5.909 1.131 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 -4.351 -8.064 -2.092 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 2.005 -12.461 4.821 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 1.604 -5.380 1.203 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 8.346 -7.734 10.988 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 -9.474 -9.251 3.429 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 -6.445 -0.302 -1.266 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -17.396 -12.131 -1.855 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 -8.284 -0.387 3.672 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 4.306 1.534 -5.687 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -0.049 -22.427 -4.804 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 6.682 17.570 -6.250 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 2.157 -1.760 2.312 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 8.133 -28.862 16.223 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -2.666 4.254 -1.591 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 5.400 -0.803 1.206 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 3.897 -8.670 7.588 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 10.978 4.490 3.456 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 -0.496 6.937 -3.251 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 -4.990 12.107 -14.321 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 -11.235 -5.190 -13.904 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 0.289 -5.833 7.958 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 -16.732 11.162 1.357 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 -6.587 11.057 -0.019 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 1.028 10.310 -0.082 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 -19.660 14.073 26.585 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 13.197 -2.148 9.710 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -1.258 -0.389 -3.150 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 -3.844 -0.204 -14.335 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 -7.547 0.402 3.472 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 3.031 -0.613 5.002 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 -23.963 18.743 8.944 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 -9.323 3.101 -0.497 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -0.852 -2.591 0.564 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 1.285 -4.604 2.464 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 0.063 -2.937 1.245 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 -7.527 -4.596 1.621 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -15.381 -6.922 7.088 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 -8.995 -23.065 -12.761 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 2.272 5.128 2.385 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 6.842 14.005 -1.073 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 -4.940 9.229 11.463 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -0.691 1.403 1.576 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -16.138 9.215 -9.008 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 5.121 3.009 36.257 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 1.291 1.025 2.302 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 4.151 -5.070 0.207 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 -5.115 -1.699 -12.927 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 3.717 4.693 -1.745 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -0.328 -28.382 7.113 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 -13.113 1.771 -10.911 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 0.178 2.690 5.888 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -10.049 -17.240 6.797 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 -13.632 22.165 10.644 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 5.106 -3.162 4.771 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 -13.589 -6.092 -3.673 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 -16.291 18.162 27.200 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 4.529 -3.212 1.287 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 2.608 -0.616 -17.855 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -4.357 0.373 12.583 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -0.954 7.087 -5.385 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 2.590 4.817 3.960 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 -12.198 10.308 -1.544 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 4.952 2.426 3.132 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 3.450 -15.089 -7.793 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 7.233 -10.287 -7.259 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 -0.617 2.875 7.903 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 2.183 9.800 9.824 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 2.012 32.853 7.060 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 1.070 -6.133 -2.213 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -12.763 11.709 -35.332 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -11.976 12.506 -25.168 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 3.043 -7.462 0.380 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 6.975 -14.848 -2.648 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 12.304 -16.541 -3.334 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 5.796 -4.307 -5.342 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 -6.981 15.667 -13.039 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -5.566 -11.538 18.764 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 -0.427 0.304 -1.491 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -18.364 4.133 -12.681 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 13.994 -1.837 -0.078 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 3.989 2.120 4.009 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -1.719 2.491 -7.421 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -1.106 2.736 -5.985 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 1.467 -7.404 -2.774 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -1.075 20.043 12.556 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 7.027 3.072 -7.630 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 -2.540 0.727 -4.436 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 -9.688 -6.199 7.742 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 -2.178 -0.070 -5.305 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -2.339 2.274 -0.257 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -29.571 0.923 1.528 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 6.407 -11.594 7.712 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -3.292 -4.222 -2.473 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -10.171 12.049 2.113 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -15.119 37.443 -14.847 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 0.169 6.172 1.363 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 -12.594 1.907 14.751 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 14.683 6.908 -0.629 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 2.582 0.875 -1.528 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -0.197 7.371 -12.104 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 7.358 -16.210 23.664 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 10.674 2.542 4.212 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 -17.386 13.770 5.786 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 -1.450 -14.180 -25.658 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 -0.592 -2.489 -0.503 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -11.507 3.697 20.127 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 12.147 -19.064 -8.400 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 2.552 2.270 -0.507 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 15.180 5.784 -23.323 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 6.374 -25.249 -20.146 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 -0.311 -0.396 -0.109 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -17.666 -25.633 -11.202 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -12.147 -2.003 20.108 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 -1.012 3.761 -7.164 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -3.417 -2.570 -2.058 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 -1.287 10.112 -2.540 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -10.346 3.943 3.812 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 -26.459 3.077 -5.957 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -1.882 3.698 10.503 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -4.603 -0.874 6.457 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 -13.543 13.320 -22.707 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 19.921 7.642 -8.430 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 -4.087 -1.823 9.481 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 -3.952 7.983 -38.951 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 11.039 7.647 -11.170 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 3.761 -1.044 -2.549 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 2.081 0.943 -11.671 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 1.901 5.420 9.150 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -1.492 1.237 1.623 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 1.922 12.495 -10.714 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 -0.868 5.882 -2.739 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 -3.789 -4.348 3.031 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -18.956 15.745 5.515 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 20.055 -12.915 -0.598 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 2.349 -5.207 2.437 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 -5.596 -11.435 13.657 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 30.271 -2.882 -8.951 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 0.760 5.166 -7.210 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -17.117 14.727 -12.670 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 14.407 -2.706 -4.911 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 -4.067 0.315 -7.483 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 14.982 -21.354 15.997 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 13.983 -14.877 13.359 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 3.110 -2.173 -2.189 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -9.248 -14.295 7.461 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 11.253 7.191 -1.848 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 8.573 2.638 -1.244 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 7.413 -0.813 -1.260 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 26.766 -6.627 5.538 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 3.310 -2.829 9.991 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -0.780 -31.533 4.296 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 -3.858 -7.905 7.838 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 2.243 0.773 0.262 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -1.017 -0.709 0.098 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 11.761 -9.201 15.633 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 7.273 -2.557 -2.772 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 13.435 -10.564 15.794 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -2.759 -5.786 -5.830 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -3.304 -5.694 -1.390 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 0.430 -14.081 7.418 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -11.299 -2.897 -8.279 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -2.007 6.881 -0.939 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 -6.317 -25.530 -6.133 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 29.809 -6.934 10.099 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 1.576 -5.859 6.386 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 4.141 -10.898 3.567 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 -2.021 -27.116 -3.177 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 4.927 2.809 -0.189 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 15.020 -28.174 -9.237 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 6.856 -1.998 -2.015 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -4.515 5.647 2.937 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 -1.771 3.140 -1.714 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 -6.377 3.348 14.550 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 -2.126 -2.063 -6.018 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 1.955 -3.945 -2.406 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 6.584 -1.316 -0.327 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -3.735 -0.376 -0.373 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -11.496 -0.971 -37.488 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 47.971 -14.741 9.464 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 -5.559 -2.244 1.007 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 -23.453 -5.350 0.439 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 -0.473 15.656 13.975 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 -1.875 -0.637 4.072 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 20.822 15.319 -4.273 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 -0.278 -9.260 -16.939 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 -0.598 -4.272 1.828 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 19.667 -11.873 -16.496 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -8.004 -1.224 12.993 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 -0.566 4.197 -3.774 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 1.136 -10.163 2.466 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 12.153 6.910 -12.400 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 0.394 -3.458 0.377 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 23.545 0.887 2.973 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 -10.422 6.717 15.447 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 3.285 2.866 1.311 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -19.626 6.053 -5.094 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 3.421 0.056 26.862 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 3.266 -1.001 4.010 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 7.302 0.264 22.917 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 18.436 -6.746 6.010 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 5.026 -0.240 0.279 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -7.768 6.935 12.235 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 -9.784 22.505 -5.152 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 4.341 -7.415 1.078 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 17.319 -9.120 -18.544 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 1.782 -6.981 -0.455 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 -0.129 1.845 -2.904 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 9.982 16.583 16.072 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -8.258 -20.396 2.358 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 5.331 3.550 1.645 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 -2.633 1.286 10.713 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 13.248 10.395 -9.844 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 -3.398 -2.667 -0.384 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -1.482 7.822 -2.238 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 4.902 -6.132 4.278 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 5.448 6.392 1.451 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -41.297 -4.251 12.100 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 -3.164 -5.029 -6.057 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 -5.440 0.872 -3.685 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 -7.068 -7.149 -0.028 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 0.258 13.327 4.169 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 4.214 4.362 -1.273 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 6.164 5.865 15.450 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 9.362 -11.984 14.400 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 0.441 -1.750 2.145 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 8.177 -11.112 -2.681 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 -2.871 13.983 -1.082 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 4.397 -1.812 -0.916 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -5.831 -4.866 6.224 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 29.682 -12.243 -18.299 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 -2.392 -1.812 -5.420 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 -7.620 2.260 -6.938 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 -2.972 -17.817 3.379 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 -1.036 0.649 -3.141 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 -5.158 -2.138 -1.673 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -0.230 -11.228 2.725 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 -9.006 0.239 0.691 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 7.425 21.466 4.897 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 8.237 -8.160 -5.969 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -2.376 0.024 2.105 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -4.070 -4.807 -1.849 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -7.175 10.746 1.743 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 2.110 1.007 -1.119 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 1.064 3.408 17.197 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -4.618 14.994 12.389 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 1.313 -4.487 1.620 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 8.010 8.545 -3.100 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 -9.242 -9.744 -5.652 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 0.015 -10.781 5.451 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 -10.969 -11.004 11.907 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 7.854 -4.316 17.170 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 -6.970 -0.264 5.942 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 -18.925 -3.535 9.740 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 -20.781 11.264 7.371 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 0.825 -4.489 7.230 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 4.264 -7.441 5.619 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 -6.794 0.936 0.188 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 -0.401 -5.178 1.389 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 -6.003 0.605 -3.570 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 -8.298 -14.427 -6.517 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 6.821 3.079 -5.604 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 0.650 6.848 -2.708 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 6.008 5.883 8.291 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 -3.621 -6.734 0.519 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 -18.576 8.263 30.209 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 -11.087 3.879 7.051 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 0.534 3.124 1.432 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 -20.075 10.031 -2.562 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 2.606 -17.221 -7.771 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -4.818 -0.560 -1.925 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 16.504 10.440 30.416 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 -3.552 -5.205 8.455 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -1.155 -1.218 6.353 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 4.407 14.355 0.685 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 -2.545 -13.903 8.988 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -4.028 0.196 -4.963 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 4.352 -23.434 -4.696 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 -18.668 4.977 7.331 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 -1.663 12.212 -4.137 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -10.252 9.066 19.473 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -12.540 -1.941 4.057 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -4.353 0.854 3.427 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 -9.082 -1.138 0.276 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 -8.104 11.415 6.781 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 2.485 5.703 4.102 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 8.681 10.067 6.317 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 14.057 12.750 7.119 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 -7.344 4.243 5.999 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 -0.162 4.103 -5.629 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 -6.118 2.625 12.759 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 5.432 -0.522 4.856 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 3.202 -13.071 6.149 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -3.185 -19.192 2.730 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 1.761 -2.262 -3.941 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -1.841 -4.939 2.030 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 5.630 10.859 -2.481 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 0.257 2.990 -9.646 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -2.201 -1.071 -3.462 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -1.872 -13.407 -2.576 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -0.483 -4.524 3.624 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 1.263 -9.851 21.557 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -1.270 -5.974 -2.042 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 0.675 1.585 -5.617 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 -4.836 3.209 -1.622 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -2.195 6.298 1.737 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 -3.423 5.655 4.309 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 1.195 8.364 8.440 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -3.047 9.426 0.087 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 2.667 -2.066 1.253 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 21.034 -18.030 -0.060 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -1.637 7.999 6.912 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -0.064 2.814 3.196 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -6.445 -17.902 -2.183 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 16.256 -3.133 16.585 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -1.606 2.526 0.102 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 -3.050 -8.134 6.960 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 -9.371 1.234 -5.014 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 1.969 2.939 -3.054 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 13.850 -10.721 15.840 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 12.639 23.437 10.855 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -2.622 -4.731 8.307 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 22.639 -4.797 -9.974 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 -2.611 -11.857 16.577 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 2.963 -6.463 11.572 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 5.379 17.561 -3.149 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -22.217 -14.341 -8.744 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 3.029 -1.901 1.882 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 8.183 -32.155 3.878 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -24.057 0.122 -4.077 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 4.216 -1.761 -8.787 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 7.847 -9.782 -36.229 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 -3.892 28.732 -7.279 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 -5.185 -6.777 -2.777 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 0.413 3.032 -3.101 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -10.335 -2.884 13.995 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 -0.605 7.112 -1.777 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 4.777 3.948 -3.771 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 12.953 -0.700 -6.552 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 3.146 -0.121 -2.404 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 29.404 -4.163 -4.783 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -38.929 -12.807 -0.591 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 -1.334 3.666 -7.080 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 7.116 -7.694 3.981 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 4.235 14.300 -2.134 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 0.494 -12.526 -2.866 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 13.709 11.551 16.326 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 -10.536 -10.236 -17.586 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -2.762 0.356 -0.569 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 1.968 5.319 -0.256 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 5.327 -16.118 14.069 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 3.520 3.782 -3.152 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 6.423 18.695 23.021 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 3.584 3.379 -4.950 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 3.732 5.435 0.200 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 -0.639 14.437 -0.707 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 24.484 -14.558 -7.054 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 -0.880 2.356 0.461 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 -5.146 -1.931 -10.496 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 3.082 -3.464 -22.998 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 0.252 -4.640 -0.545 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -0.771 4.610 4.775 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 1.731 2.096 17.278 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 -0.763 1.846 -0.716 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 -17.168 7.759 20.811 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 20.711 19.629 0.402 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -4.942 9.519 -2.340 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 -11.242 -3.256 -10.954 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 2.688 -20.945 -15.760 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 1.490 -0.552 2.738 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 13.365 22.786 7.150 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 -12.675 41.030 -4.898 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 6.004 0.036 -3.518 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 7.831 5.511 -3.616 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 6.554 9.938 -2.402 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 3.325 -1.020 -1.347 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 5.925 6.815 -5.234 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -2.147 -16.647 -10.214 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 -0.524 -1.236 7.373 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 4.212 -4.081 -3.837 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -2.468 -1.591 -4.633 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 -0.705 2.263 0.954 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 32.308 -9.579 -8.378 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -25.980 -12.372 25.398 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 -5.989 0.068 1.825 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 -13.313 14.962 16.492 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 12.108 -1.678 -9.082 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -9.555 -2.811 -5.132 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 -10.509 1.827 12.690 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 -2.947 -0.536 1.531 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 5.860 0.837 -5.178 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 -3.662 -15.461 -0.661 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 8.784 -3.749 -10.853 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -0.781 -0.799 2.178 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 10.127 17.844 11.717 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 4.915 -21.061 -0.085 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 5.043 0.623 1.003 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 3.084 -5.378 -3.451 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 -4.828 1.685 -2.582 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 1.600 0.625 -2.213 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 8.225 -3.799 -5.798 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 7.362 -3.354 -5.125 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 1.062 1.669 -5.345 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 -0.701 -3.185 0.139 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 0.948 1.288 -4.480 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 4.761 2.911 -1.282 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 -11.691 -2.457 21.177 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -6.273 -12.976 -20.860 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 6.390 -0.396 -0.944 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 13.415 8.887 13.303 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 6.973 -6.989 21.184 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 8.377 -1.095 4.868 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 24.347 13.407 -15.119 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 2.377 11.583 37.665 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 -4.906 2.139 5.173 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -27.980 -16.790 14.580 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 3.432 -11.793 -9.257 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 2.353 1.917 -0.428 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 9.455 -4.941 3.946 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -13.963 -27.162 14.718 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -6.872 2.286 -1.598 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 -11.646 -14.854 -16.445 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 3.507 -3.919 -12.602 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -1.707 0.531 -0.363 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -1.834 6.707 16.017 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 6.757 8.313 -1.587 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 1.140 -2.724 3.818 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 3.102 -0.970 4.691 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 5.526 9.239 16.314 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 3.986 -5.288 5.826 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 10.473 13.653 -5.928 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 -11.583 -8.159 13.512 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 2.520 -0.185 -8.739 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -19.563 16.846 -32.167 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 -0.972 -3.297 5.902 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 -0.006 2.467 -2.011 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 11.772 -4.718 13.228 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 -22.994 2.018 -22.633 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -4.167 0.917 11.717 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 4.481 -1.906 5.257 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 2.199 -1.594 0.260 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 -9.373 -0.260 0.850 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -10.513 -7.355 -9.972 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -2.688 -17.435 34.367 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 -1.678 2.986 -1.953 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 0.592 14.693 -4.027 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 -2.664 -2.274 -1.529 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 -3.862 -1.242 2.179 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 -8.482 -10.519 23.810 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 -4.097 -4.233 0.417 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -5.109 -4.832 0.615 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 13.324 2.203 -6.743 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -8.287 1.169 7.187 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 -1.642 0.399 1.868 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 10.389 3.776 9.397 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 -0.533 -2.095 -4.502 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 2.063 7.855 -4.080 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -6.358 16.503 6.268 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 0.637 1.055 4.699 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 2.650 -6.716 -1.242 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 -3.909 24.373 -7.741 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 0.971 -34.814 -0.750 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 4.265 1.636 8.472 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 -8.679 -3.521 -5.944 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -3.289 -21.351 -3.580 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -4.822 -1.312 -6.274 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -21.089 0.241 10.040 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -6.221 -2.940 -7.348 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 5.247 -0.269 -2.574 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 -21.399 19.606 -5.972 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 13.269 9.269 9.857 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -3.471 0.650 -0.340 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -1.826 -3.602 15.508 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -23.539 14.356 -15.741 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 0.498 -1.777 1.130 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 -5.393 18.296 13.076 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 -10.282 -6.375 -6.172 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 -0.399 -4.086 0.724 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 -6.696 -3.707 -4.393 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 6.442 -7.874 -11.699 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 -4.451 7.532 1.094 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 -11.509 1.658 -4.077 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 -1.261 4.224 1.337 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -5.136 -6.732 -5.436 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 4.852 -3.397 9.415 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 -14.753 -9.342 -8.369 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 3.571 1.171 -1.757 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 7.551 -18.884 -10.833 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 14.277 -10.629 9.533 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -7.680 2.077 1.076 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -25.416 19.857 2.647 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 -2.197 -11.489 -18.251 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -0.318 -5.103 -0.179 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -19.351 -11.924 26.304 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 1.525 -0.975 -7.779 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 -6.642 2.883 -0.535 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 -6.861 -15.092 14.946 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 -4.463 14.584 -1.929 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 2.191 0.316 -0.535 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 -22.409 6.424 7.354 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 11.430 -1.862 -0.680 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -5.148 3.387 -3.345 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 -4.678 0.785 -3.557 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -11.210 -41.890 -1.484 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -0.493 -3.246 0.183 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -5.692 -9.863 4.678 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 2.971 3.275 -3.199 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 1.601 2.224 -7.147 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -0.547 -2.694 -14.867 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -19.270 1.022 -39.486 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 4.648 4.331 3.124 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 -33.991 -10.319 -17.267 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 28.803 23.149 -3.622 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -1.182 5.807 4.181 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -4.145 12.345 -3.019 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 5.901 0.348 -2.074 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -0.066 4.650 -3.082 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -11.017 -12.032 -16.341 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -19.964 9.182 8.831 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 9.801 -3.092 -9.375 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -21.019 17.895 -15.397 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -7.509 4.780 -12.075 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -2.283 -5.874 -0.170 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -4.187 -6.458 0.522 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 3.689 14.758 -6.867 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -4.285 -3.648 0.482 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 10.345 -6.581 12.254 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 -1.117 -2.540 6.397 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -5.868 -1.625 -4.799 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 9.045 -22.623 -2.226 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 2.188 1.210 18.292 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -2.035 2.930 -0.259 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -13.041 23.980 -18.992 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 -14.408 16.029 -6.522 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 -5.223 2.261 4.625 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 -9.107 0.391 6.287 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 -9.548 11.692 1.015 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -6.834 -0.260 -10.332 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 7.992 -5.845 -9.366 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 0.260 -12.997 -6.062 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 1.510 -1.767 -5.187 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -9.775 0.468 -4.998 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 -3.055 0.465 -4.157 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 1.809 2.922 2.330 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -7.701 4.165 -11.902 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 7.308 -13.161 4.415 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -7.635 3.177 -5.923 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 18.842 5.237 -1.473 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 3.050 2.997 -8.114 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 -5.644 1.924 -4.928 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 13.178 -0.387 -8.890 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 15.852 -15.635 -5.076 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -2.896 -6.289 -3.740 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 1.676 0.932 0.294 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 7.024 8.867 4.849 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 0.463 4.761 6.065 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 -24.733 -8.146 -8.376 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 7.364 29.059 0.969 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 -0.714 1.197 -9.730 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 11.673 -9.923 -25.608 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 8.191 -20.458 -12.956 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 -4.091 -3.940 -5.590 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -9.893 -0.786 8.882 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 9.387 10.800 -11.810 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -2.453 1.142 2.504 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 -1.889 -21.479 10.346 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -5.072 -1.093 -23.828 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 1.527 7.890 4.104 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -5.678 -1.929 18.135 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -6.614 -6.045 20.683 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 4.936 -2.140 -1.877 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 -4.869 -29.634 -17.134 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 -4.657 -21.092 -10.418 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 -8.592 6.047 8.755 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -30.829 -19.840 -0.679 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 -20.246 9.534 -0.309 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 4.408 1.197 6.257 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 -8.400 -2.262 10.243 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 16.309 11.834 7.535 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 -2.864 -12.619 -2.377 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 -12.728 -4.666 3.411 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 5.739 -4.184 -11.965 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 3.512 0.486 0.144 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 0.675 -4.424 -7.515 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 2.752 -1.000 -2.440 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -3.364 -3.681 -2.760 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 -1.887 -10.722 -8.188 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 -3.090 -9.901 -2.837 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 1.618 -6.187 1.950 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -25.544 13.865 10.192 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 18.558 6.708 -18.882 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 4.709 -2.303 0.958 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 26.798 -13.692 12.842 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 19.126 -9.602 8.805 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 2.225 -3.135 -1.449 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 1.374 7.294 2.469 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 5.376 -16.410 -6.629 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 3.588 -4.481 4.848 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -15.730 7.821 2.137 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 43.201 -6.053 6.332 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 0.086 -1.323 -6.150 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -0.430 -2.247 -24.394 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 0.781 -6.464 -6.250 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -1.989 -3.662 -0.364 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 8.462 -4.796 -2.140 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 4.585 -0.100 8.757 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -5.884 6.446 -7.173 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -12.731 -4.240 3.635 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -5.459 14.834 -14.482 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 2.412 2.642 -6.114 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -25.474 4.918 -17.596 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -0.714 8.429 -10.956 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -5.337 -4.207 -4.964 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 1.653 -5.264 3.979 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 18.211 11.924 -1.176 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 1.738 10.838 3.616 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 21.091 13.132 32.782 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 -2.697 1.307 -20.612 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 1.710 -0.339 -0.676 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 -3.937 -3.207 -19.278 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -2.147 -5.883 21.604 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -4.037 3.317 6.455 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 -25.793 -31.889 -5.653 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -7.830 12.319 -6.381 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 -1.829 -8.777 4.070 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 -19.116 -22.659 -2.923 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -20.819 -7.410 4.665 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 0.958 1.949 -1.152 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 10.449 -16.212 -8.968 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -22.455 -17.523 24.277 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 -3.412 -1.839 -3.995 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -11.758 -3.948 -3.175 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 -12.374 -2.584 -3.078 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 4.345 10.025 1.213 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 -5.632 -9.509 -0.794 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 -11.948 -20.999 -0.634 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -2.705 6.933 -2.856 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -9.855 -5.035 -1.020 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 1.883 6.427 9.364 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 2.164 -5.040 2.142 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -3.965 11.417 3.414 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 3.326 -16.443 -4.360 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 -2.515 0.696 -4.308 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 19.517 11.262 -14.931 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 3.767 3.707 24.064 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 1.020 -0.922 -3.993 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 1.009 -3.869 -7.328 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 8.165 6.056 -29.952 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 6.020 -1.564 -4.091 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -18.052 -6.286 -6.200 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -6.766 -7.511 -6.291 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 -7.295 1.617 -2.363 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 -8.100 7.739 3.797 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 -11.272 -1.124 5.705 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 3.017 0.343 -1.140 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -11.264 -7.540 -21.596 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 -6.708 -10.440 -13.460 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 -8.731 9.819 3.320 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -18.614 -12.557 19.163 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 -12.476 4.722 -3.969 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -0.270 -5.561 -1.898 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 13.410 -16.635 -2.911 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 5.805 7.034 7.780 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 4.278 -5.634 -2.930 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 4.924 -1.499 -3.732 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 -4.257 -24.942 12.740 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 -4.256 -3.324 -3.795 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 6.600 -5.003 9.276 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 11.991 -10.848 12.154 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 0.082 -2.527 -0.936 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -11.081 -2.513 -0.140 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -29.789 10.453 -6.043 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 0.834 -0.433 -6.119 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 -5.471 -1.342 -9.975 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 0.281 14.180 -0.786 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 -5.269 -0.705 2.152 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 -4.276 3.359 12.284 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -0.898 -5.413 12.710 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -0.295 -4.621 1.559 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 -5.636 -9.553 8.917 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -3.085 7.595 -12.927 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 11.585 3.776 1.275 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -19.259 1.104 9.239 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 -0.293 7.328 -5.002 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 -0.585 11.397 -2.370 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -6.672 -12.372 2.280 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -4.355 21.764 -4.980 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -1.765 3.409 -0.951 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 8.113 -7.795 10.077 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 11.543 -11.041 -4.976 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 -1.920 -0.917 11.818 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 -15.422 22.140 12.556 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -30.548 -13.712 3.460 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 -2.899 -0.411 5.336 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 7.342 1.707 10.322 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 -4.047 -12.130 16.397 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 0.141 -0.300 0.784 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 0.773 -5.434 9.744 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 1.037 -9.664 0.154 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 3.781 -2.749 -2.403 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 2.125 -1.467 -4.107 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 2.672 -1.886 -0.620 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 5.671 0.514 -7.288 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 22.004 -5.353 -6.810 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -1.148 -5.350 -9.230 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -1.205 3.222 -3.809 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 1.748 7.836 9.071 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 13.023 -9.623 -5.871 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 -0.308 -1.749 -0.539 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -9.278 -4.104 23.320 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 -2.344 -2.188 13.112 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 2.799 -2.164 9.641 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 -15.968 1.951 -14.916 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 22.084 16.265 -0.638 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -4.338 -0.573 -4.213 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 -1.533 8.622 -7.250 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 12.582 -7.121 -4.551 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 3.320 -3.765 -0.060 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -1.885 -21.084 -10.045 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 -10.494 -4.759 17.717 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 4.361 -1.176 -1.448 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 14.912 -0.006 -9.424 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 12.544 -7.764 -6.914 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -9.023 -0.406 -2.414 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -9.406 0.420 1.275 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -7.627 -3.635 -2.374 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 -3.690 -2.963 2.491 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -15.742 20.657 4.373 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 1.600 1.506 -23.023 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 2.040 6.687 5.641 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 -25.215 27.967 -11.646 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 -25.571 -23.097 7.509 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 -1.738 4.110 1.117 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 -6.415 -0.736 11.410 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 2.319 9.053 -10.340 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 7.836 3.912 5.138 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 -2.542 -5.225 -29.963 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 0.554 1.413 -12.885 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 0.436 -1.423 5.711 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 -0.485 -10.942 -9.382 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -24.844 1.982 -14.700 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 -3.980 -7.885 -3.671 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 -11.623 -11.977 -0.936 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 0.310 -13.251 0.004 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 3.222 -0.190 5.447 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 -6.713 16.633 0.041 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 -14.004 -0.796 -2.871 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 3.507 -2.410 -9.158 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 -3.364 5.066 -7.901 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 1.324 5.461 2.119 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 1.657 1.528 2.145 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 -7.097 -4.825 -8.549 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 2.110 -4.328 -0.534 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -2.038 2.012 -8.591 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -3.238 2.847 -10.985 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 -14.066 -3.313 -17.466 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -5.833 -0.496 -2.564 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 25.190 -13.174 -20.475 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 1.150 -3.224 -6.394 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 0.797 -1.303 0.888 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 6.727 0.878 -1.544 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 13.258 2.129 -1.161 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 -0.859 -3.402 8.218 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 4.686 -11.007 11.372 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 -16.156 -4.866 10.830 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -0.955 2.484 5.384 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 -4.443 -5.616 -16.605 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 3.460 -5.183 5.146 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 1.298 -0.703 -2.167 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 5.576 -14.435 -8.389 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 -4.981 -7.055 -1.006 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 1.380 1.927 -0.847 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -1.363 14.616 13.144 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 -4.229 -7.931 -0.024 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 -5.475 5.226 0.510 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -5.537 5.504 0.289 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 -12.605 -0.202 10.401 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 -4.601 4.163 -3.212 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 27.118 22.141 -21.401 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 -6.588 6.900 -9.054 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 7.291 -1.216 -0.832 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 4.042 -9.177 -1.376 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 0.020 4.119 -2.984 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -3.184 -4.737 -4.805 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -4.525 4.945 3.834 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 6.477 -15.078 -15.303 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 7.467 3.489 -5.498 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 8.558 -1.146 -10.474 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 -6.895 3.109 -5.487 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 0.409 -0.226 -2.096 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -0.216 4.682 -15.018 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 20.183 14.670 2.976 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 -1.877 -5.031 1.089 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -2.632 3.547 -2.734 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 -3.133 -4.689 19.072 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -1.142 -1.485 0.698 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -16.423 -16.304 -3.441 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -11.121 -15.360 1.002 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 3.293 -1.745 6.893 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 -7.864 -16.878 4.195 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -6.189 27.324 -16.176 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -4.108 3.790 -0.555 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 7.167 4.749 1.818 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -9.830 13.784 -0.255 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 0.740 -2.947 2.973 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 4.611 -11.317 -10.521 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 5.563 27.794 13.489 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 -3.496 1.757 -0.526 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 -12.613 0.862 6.684 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 8.508 2.060 8.805 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 0.733 1.062 -5.693 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 -1.060 -12.819 -24.578 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 -13.022 43.155 -2.926 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 -1.532 -2.209 0.145 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 -1.352 2.231 -3.592 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 6.925 22.749 4.542 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 2.702 -11.909 4.711 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 1.632 -36.902 -30.847 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 -18.183 13.070 0.482 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 -4.898 -5.210 -5.376 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 16.974 -5.651 -9.175 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -0.060 -10.994 5.300 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 0.251 -1.326 2.974 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 -1.236 -4.072 4.505 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 5.268 22.482 -6.123 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 2.603 -4.957 -6.029 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -2.894 -5.842 -11.236 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -1.980 -3.779 -15.212 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 -0.021 0.142 -4.524 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 -6.167 -3.875 -19.464 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 -5.870 -0.464 -0.691 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 -0.647 -9.612 5.831 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -11.727 -2.424 9.353 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 10.197 1.988 23.038 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -3.521 4.772 0.870 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -2.774 9.891 -1.600 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 -5.812 -0.201 -13.338 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -1.354 -5.660 3.232 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 2.987 15.382 6.277 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 2.581 -23.582 -10.911 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 8.501 -9.946 -1.793 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -17.313 -21.915 2.559 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 10.062 -12.379 -2.713 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 7.454 -1.248 -0.469 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 10.254 -27.389 10.069 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 8.846 -24.772 23.011 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 1.578 1.682 1.332 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 -1.374 18.295 -21.356 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 5.196 3.318 13.936 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 2.817 2.065 8.551 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 -0.559 8.902 12.517 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 8.691 -5.941 2.526 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 0.662 4.432 -3.856 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 5.552 15.501 -2.460 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -2.117 2.470 -1.412 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -2.252 7.012 3.071 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 -15.267 -12.567 14.857 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 4.049 21.578 5.536 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 4.798 -1.964 -2.232 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 4.856 6.512 -0.807 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 7.345 0.784 -9.362 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 4.684 4.756 -0.898 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 6.532 2.781 5.411 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 6.574 2.326 6.571 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 9.017 -0.684 8.106 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 20.651 9.871 -0.186 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 -12.975 8.605 4.775 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 1.912 -3.955 -0.634 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 17.016 9.446 23.313 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 4.641 -1.228 2.378 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -0.735 0.373 -2.987 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -8.291 -7.107 -12.859 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -0.197 -1.221 -4.241 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -1.567 -7.972 1.406 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -2.777 3.482 -6.434 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 17.313 10.667 -1.741 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -3.320 -1.990 -2.797 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 3.900 0.684 12.056 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 10.117 4.673 -15.856 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 0.515 -3.552 -1.213 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 4.706 6.414 5.325 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 8.505 -6.216 2.672 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 -1.186 8.479 4.740 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -11.203 10.848 14.498 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 13.531 4.004 -7.893 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 5.765 2.505 -0.337 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -0.065 4.356 -42.787 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 7.346 -6.284 21.852 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 10.852 -1.935 -5.394 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -9.144 -26.436 8.915 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 6.058 -5.984 -10.638 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 0.235 8.432 -3.688 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 8.542 -0.936 -22.875 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 -2.238 0.183 -12.799 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 -6.462 -9.278 -2.642 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 -13.936 -10.677 11.051 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 -0.945 7.721 -4.512 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 -2.311 3.237 4.524 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 9.512 -8.167 10.798 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -17.499 2.994 31.490 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -6.856 1.471 3.609 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 6.513 1.949 18.488 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -27.739 -1.663 -24.273 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 5.004 3.032 0.292 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 12.236 -4.856 5.315 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 9.690 -15.061 -4.618 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 -1.390 -2.232 4.518 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -2.079 -3.245 5.190 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 1.390 9.684 4.160 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 -1.373 1.072 7.010 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -16.398 2.240 16.988 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -8.494 -15.993 -3.891 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 4.277 -1.267 -0.945 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 2.957 -12.271 -4.795 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 5.428 3.666 -11.079 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 2.855 -0.303 5.757 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 -0.530 -32.919 10.173 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 1.219 -22.978 7.834 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 -4.200 -1.188 6.024 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 -7.762 13.900 11.175 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 -1.442 2.322 -6.727 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 5.792 1.325 4.516 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 8.523 2.161 11.901 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 5.386 1.175 2.718 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 -0.213 -5.842 3.785 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 1.310 -0.047 0.533 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 0.212 6.456 -4.975 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 -0.774 1.354 6.557 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -6.381 -17.393 1.699 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -6.597 17.757 -17.818 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 0.298 1.347 2.178 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 1.378 8.732 18.180 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 -1.195 -12.640 -25.782 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 6.290 -4.046 -4.673 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 3.262 8.495 17.712 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -13.094 -19.341 -7.820 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 6.703 -1.462 2.113 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 8.335 8.319 -11.973 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 0.759 10.479 -0.958 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 6.740 2.257 2.848 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 7.925 -2.052 16.742 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 1.351 -16.367 -8.153 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 3.428 3.926 3.456 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 -14.152 25.629 14.489 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 -4.234 -15.981 7.681 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 4.709 -2.396 0.367 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 8.499 -5.186 11.949 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -2.125 -4.256 3.404 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 0.352 -0.314 -0.964 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 -18.014 -3.046 -18.565 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 -2.848 8.646 6.845 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 2.359 1.421 4.156 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 2.424 1.480 -8.391 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 -9.753 5.200 5.014 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 -1.694 1.931 1.976 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 27.075 -4.833 29.533 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -9.344 4.837 8.359 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 -3.513 1.875 3.929 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 25.381 4.007 5.670 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 -11.577 -4.580 -10.401 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -0.847 -0.573 -3.214 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -5.280 7.411 4.155 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 5.085 0.489 -9.378 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 3.326 1.460 -0.420 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 6.202 2.885 -2.530 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 -0.156 1.408 1.361 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 5.817 2.740 5.601 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 18.692 -19.987 -19.134 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 -24.939 10.162 11.614 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 2.102 -4.151 -1.394 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 4.934 8.491 8.286 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 0.433 -12.126 14.510 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 1.637 1.430 -4.772 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 25.243 9.447 0.101 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -11.992 -0.276 -1.259 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 4.494 0.989 0.344 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 -3.180 -0.748 -0.922 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 -3.659 11.832 11.974 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -5.450 2.260 -1.737 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 -4.958 -17.624 29.731 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 -8.152 -6.514 2.636 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -1.743 2.209 -0.078 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -4.884 8.507 -18.550 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 1.503 -2.940 16.055 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 0.462 2.536 0.359 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 -3.566 -20.429 11.499 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 -12.623 -18.516 11.542 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 7.378 -3.555 3.072 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 -14.896 9.200 5.371 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 15.628 -9.550 2.116 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 0.282 -3.016 -0.179 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 15.722 -1.991 -15.563 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 -0.350 17.355 8.071 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 13.593 -2.020 -1.463 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 -22.070 -12.938 -12.042 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 20.544 -4.251 3.115 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 0.465 0.280 0.548 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 -17.345 -5.397 -1.957 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 -30.032 -6.474 19.079 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 2.535 10.906 -7.246 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 15.602 1.953 12.537 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -1.803 7.770 -32.524 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 8.226 -3.181 6.085 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 22.689 -4.505 13.728 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 -0.803 2.352 18.092 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 0.953 -1.507 -2.742 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -6.980 -7.614 -17.111 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -16.354 -7.782 9.412 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 0.411 -0.975 5.780 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -13.240 0.195 -1.397 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 4.218 1.624 5.010 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 0.749 -2.421 3.523 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 5.613 1.220 10.973 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 -32.532 11.934 -7.921 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 -1.067 -6.869 6.634 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -20.161 -9.417 10.221 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 9.856 -8.422 4.185 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 -3.588 -4.067 6.463 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -22.260 -15.336 9.966 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 -14.996 -7.764 4.654 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -5.250 -3.968 -1.372 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 3.512 17.936 -1.110 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -8.665 -14.227 -14.783 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 6.935 5.524 4.610 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 4.575 5.675 19.462 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 5.134 5.447 -1.970 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -6.598 -5.092 -8.758 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 -16.384 -9.317 -5.329 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -7.491 3.184 -14.317 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -0.661 -2.158 4.796 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 3.189 8.711 11.471 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 2.861 12.778 8.885 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 6.384 -4.379 2.137 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 -1.456 11.264 7.586 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 2.222 -3.890 27.222 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 1.318 6.053 -1.000 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 2.998 -5.231 -0.831 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -4.397 24.126 -14.503 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -7.451 -1.079 -1.209 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -0.396 -2.201 -11.120 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 14.579 -12.415 17.144 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 3.773 3.916 0.142 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 8.439 1.196 11.178 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 1.845 3.444 -0.551 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 -1.578 1.514 10.083 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -2.597 5.103 2.539 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 -14.962 2.052 -7.196 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -4.409 -1.822 -0.572 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 -33.413 -9.908 23.354 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -3.122 2.241 -1.323 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 0.976 -4.058 -3.739 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -0.224 6.063 -18.631 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 20.263 -20.714 -25.175 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 -3.409 0.496 0.175 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 26.792 19.865 -11.765 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 22.102 20.663 -9.512 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 5.603 -1.451 1.789 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 0.352 -16.015 5.098 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 4.464 13.822 -5.085 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 6.367 -2.411 -2.021 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -6.475 -21.627 -1.164 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 1.342 -3.878 9.147 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 1.165 1.798 0.250 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 6.020 -3.552 -4.887 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 11.176 -4.834 2.550 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 -5.806 -1.539 -1.936 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 -3.523 23.714 -8.993 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 -4.345 17.189 -7.031 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 3.005 -3.006 5.335 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -6.630 -11.788 -0.893 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 10.725 14.087 -11.406 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 -3.960 6.608 -1.216 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 2.021 30.480 -8.146 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 16.951 -5.850 -5.315 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -4.174 4.184 3.084 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 25.830 7.381 7.050 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 -15.551 10.939 0.352 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 5.347 -3.463 -5.813 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 2.812 -17.403 10.625 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 2.017 24.388 -9.149 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -1.976 4.170 -2.010 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 19.227 5.109 -20.682 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 21.477 8.142 7.199 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 1.413 6.386 1.060 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 9.288 13.924 9.617 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -5.531 1.013 -7.330 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -4.565 -2.754 -1.168 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 11.240 -0.545 -0.388 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 -8.200 -6.115 15.493 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 -5.337 1.246 3.859 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 1.579 4.905 4.026 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -16.301 -2.873 4.379 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 3.493 -2.370 -1.189 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 13.174 -7.113 2.878 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 -1.388 -5.332 9.590 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 -1.140 7.137 -2.097 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 0.609 3.750 0.150 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 -16.122 -41.266 5.286 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 1.689 6.505 -1.386 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 2.750 20.577 6.356 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 -17.649 -7.905 1.345 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 9.302 -6.909 6.741 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 17.317 -6.873 -14.180 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -4.519 9.717 8.407 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 -2.351 5.571 -1.480 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 -6.720 3.346 -16.646 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 3.688 3.405 26.399 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 -2.195 -2.719 -7.675 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -22.359 3.670 -20.717 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 9.448 19.861 -3.945 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 4.017 5.196 -0.590 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 4.197 -4.153 16.338 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 12.527 2.664 1.099 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 3.107 -1.815 1.929 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -6.256 8.900 -11.189 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 6.864 4.200 8.611 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 -1.886 0.980 4.497 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -18.864 -2.780 -3.823 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -33.751 -4.172 17.140 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 -0.429 -3.146 -0.969 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 19.938 2.450 -25.695 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 -18.217 -10.600 20.581 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 -1.509 4.248 -4.556 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 2.567 4.925 -5.381 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 35.906 12.246 -13.719 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 -4.557 7.472 -3.693 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -4.188 -7.227 -10.964 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -7.634 10.642 -4.273 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 -2.435 0.658 7.522 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 -13.513 4.905 11.386 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 -1.005 -4.818 5.869 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -5.319 -2.183 -0.202 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 3.413 -0.942 -5.914 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 9.693 1.972 0.412 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 0.446 -3.318 -4.741 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 2.473 -4.847 -12.777 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 5.677 -7.732 15.067 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 -1.812 -4.801 -1.849 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 2.568 -7.450 2.571 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 3.081 -5.557 0.914 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -0.009 3.104 0.246 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 1.994 24.604 3.021 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 20.414 -8.771 -6.637 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -1.378 0.300 0.907 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 14.769 27.573 -23.299 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 -1.182 16.932 -8.236 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 1.884 0.079 -4.009 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -4.009 -6.750 -2.060 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 -12.318 -25.772 -7.257 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 3.774 -0.191 0.227 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 10.517 4.482 -11.085 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 5.086 10.073 -27.114 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 7.497 2.912 -3.179 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 2.563 10.946 -12.442 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -8.113 3.887 -18.812 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -1.252 -1.535 1.451 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -8.754 -6.941 2.688 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 2.135 1.619 4.929 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 7.055 -7.943 0.503 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 5.939 13.266 -15.049 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 3.143 7.703 -15.026 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 -1.772 6.807 -2.355 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 11.569 0.841 -0.553 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -18.781 -11.926 -11.932 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 -5.146 3.094 -5.286 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -24.351 -4.627 12.789 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 5.770 -10.228 -29.124 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -0.480 -2.235 1.837 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 0.437 -5.003 -0.141 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 -8.372 8.552 2.738 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 -2.537 2.952 -2.733 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 0.087 -11.098 4.050 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 -2.927 -1.587 -6.702 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 -0.744 -1.301 -4.822 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 8.592 6.356 -37.882 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 3.513 -2.117 -13.429 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 3.503 5.630 9.762 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 6.408 49.145 -6.316 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -9.513 -16.466 18.358 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 -0.130 -0.134 -3.766 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 -4.481 12.962 -29.331 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -26.606 16.887 -3.265 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 0.403 -1.703 3.412 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 2.362 2.655 33.914 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 3.046 -5.070 -20.118 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -5.791 -5.343 3.825 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -18.095 -10.992 5.580 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -4.214 14.351 3.992 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 4.388 -2.643 1.124 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 0.709 -0.389 0.615 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -10.933 9.456 -2.223 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 4.610 -0.045 7.729 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 -9.202 11.830 9.679 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 9.155 -2.253 1.716 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 -2.135 -3.153 -10.781 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -0.245 7.258 -1.287 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 13.095 3.619 -1.544 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -4.134 -4.233 -1.832 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 -6.518 -16.678 4.543 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 -3.914 -13.960 -3.607 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 -0.205 -1.755 0.318 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 -13.874 -10.115 -8.502 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 12.372 12.940 19.379 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 0.202 2.373 0.991 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -25.263 6.568 -22.933 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -6.581 27.271 12.926 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 4.025 -3.257 -0.239 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 0.178 -12.872 3.925 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -5.846 8.283 1.445 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 3.093 1.637 0.594 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 6.114 -2.004 -7.838 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 3.620 10.282 4.629 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -4.560 4.306 -4.472 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 -3.230 4.896 -13.657 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -21.727 2.593 -24.689 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -1.942 0.045 -2.238 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -5.973 12.204 -22.052 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -19.395 -4.489 8.150 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 -6.061 -3.396 1.073 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 -4.644 -11.846 -4.702 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 -20.061 -2.625 -3.628 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -1.219 -5.712 -1.809 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 1.637 -9.114 -3.044 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 3.538 -7.103 -2.027 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 5.786 0.748 2.985 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 7.131 -14.574 -3.100 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 -1.258 5.046 -3.337 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -0.763 1.907 -7.991 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 1.417 -0.404 -14.298 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 2.275 -1.678 -16.938 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 8.433 -8.286 3.515 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 -6.805 -6.483 7.602 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 9.322 4.161 4.314 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 8.840 -0.346 -2.180 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 9.782 18.693 2.540 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 -11.602 1.277 -1.953 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -7.987 6.989 2.140 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -6.969 6.631 7.642 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 -9.690 6.161 -2.446 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -1.129 -1.380 2.205 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 3.242 -5.005 -1.496 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 3.101 -6.088 -1.165 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 -6.147 7.774 -2.964 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 -7.032 6.180 -0.998 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 8.413 15.106 4.071 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -2.016 5.280 2.370 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 -17.484 -8.524 -18.610 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 11.768 23.370 2.453 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 4.345 -0.114 -5.178 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 -17.520 4.287 0.536 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 6.019 -0.091 -6.061 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 6.390 -4.225 0.024 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 4.839 -6.540 -14.916 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -6.193 4.972 3.165 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 -5.722 2.723 3.764 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 -0.435 9.311 4.332 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 12.625 -10.827 13.158 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 0.266 0.192 0.896 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -2.209 -6.456 0.101 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 1.173 2.954 4.453 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 4.702 3.824 6.303 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 24.805 -2.314 15.888 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 -12.655 12.371 -2.827 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 4.465 6.930 4.501 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 14.400 29.814 -7.713 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -0.425 3.623 -0.053 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 2.585 -1.254 3.114 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 5.588 -19.636 6.044 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 -20.348 -5.422 13.347 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 4.075 -2.809 -4.843 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 21.290 -0.171 -12.715 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 -3.308 -12.763 -5.020 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 -8.063 7.075 -3.192 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 8.155 -4.992 -6.367 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 -6.041 4.664 -7.422 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 -3.930 0.617 -4.696 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -11.095 14.794 -16.835 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 11.282 3.694 11.859 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -3.838 -0.172 4.487 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -27.853 16.552 0.236 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 22.690 23.339 -18.459 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -2.608 -3.351 -1.249 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 -13.070 -5.666 3.062 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -12.911 7.946 2.718 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 2.665 1.646 4.431 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 16.003 -1.197 6.183 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -4.752 -7.999 1.599 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 3.319 4.174 -5.565 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 1.890 7.955 -13.319 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 10.452 9.740 -3.851 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -4.859 0.858 0.138 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -4.682 -1.304 -7.299 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 0.571 6.506 0.615 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -4.298 2.128 0.596 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 24.625 17.126 21.554 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 -30.158 13.729 9.079 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 -2.792 -16.402 -3.949 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 8.907 -3.461 -2.143 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -16.504 -24.808 10.897 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -1.309 4.232 2.791 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 -9.980 19.150 -12.921 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -4.571 9.025 6.106 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 -3.924 -6.460 4.321 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 -23.667 -5.652 -8.089 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 8.273 5.019 -16.286 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -1.517 2.025 1.038 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 -0.525 5.118 2.746 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -4.366 0.466 5.722 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 0.548 2.565 0.343 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 4.695 17.719 -26.848 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 1.638 -5.810 -6.791 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -0.046 -0.514 -4.710 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 -2.476 -11.499 -17.815 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -1.117 1.779 -3.414 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 6.299 1.335 -4.484 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 11.066 2.089 4.313 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 17.956 -33.518 -20.769 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -1.287 -9.606 3.809 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 12.079 -6.138 4.325 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 11.590 -5.787 6.972 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 -2.721 4.780 -0.945 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 4.116 15.828 -1.872 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 -15.456 5.209 5.281 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 -3.142 -6.285 3.776 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -3.674 7.469 10.892 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 -3.382 -8.015 12.537 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 7.846 -5.291 0.823 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -0.352 -22.659 -1.431 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -39.834 7.481 6.092 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -3.751 -0.035 2.448 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 0.116 -10.608 -0.555 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -4.181 0.375 5.766 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 -5.856 -1.853 1.891 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 -8.279 -3.453 21.835 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -24.671 -6.022 -7.732 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 0.392 -6.570 -5.759 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 2.129 -6.424 -20.713 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 -10.957 -6.501 1.386 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 3.873 3.617 0.872 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 -5.418 7.682 1.643 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -11.341 10.832 6.062 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -1.917 -0.920 9.813 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 16.004 -5.196 4.660 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -8.711 -0.971 2.469 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 1.957 -4.956 0.581 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 6.905 -4.151 -5.177 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 4.531 -11.125 4.932 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 -1.193 1.957 4.707 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -9.452 -0.540 -8.992 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 8.777 -5.458 5.241 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 2.098 -2.613 -10.082 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 7.645 -1.215 -4.879 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 -14.230 -8.162 -25.259 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 4.048 -0.858 1.162 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 2.527 -8.110 -0.329 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 4.038 9.199 4.522 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -5.869 -5.317 2.039 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 11.267 -17.969 22.685 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -14.937 -15.166 -1.960 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 -2.669 6.380 2.460 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 26.591 -18.852 -1.901 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 14.377 3.415 2.972 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 5.050 -3.290 -1.106 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 5.049 8.437 6.252 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 1.522 0.574 -14.046 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 0.247 -1.091 -4.621 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 0.433 -1.617 2.603 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 0.458 -3.618 20.079 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -4.650 6.731 -0.103 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 4.608 11.024 -8.895 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 29.602 1.551 -14.458 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 0.602 6.935 6.595 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 6.403 -7.367 3.287 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 -1.148 11.427 -8.248 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 1.629 -3.694 -0.523 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 -0.946 -2.677 -2.030 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 -9.330 11.735 -1.037 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 3.751 -2.592 5.460 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 13.467 -15.814 -17.966 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 -5.402 16.351 -0.947 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 4.885 -2.263 -7.408 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 19.022 -15.191 -15.028 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -6.990 -5.918 3.056 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 1.791 -0.129 -1.920 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 14.883 7.892 -4.937 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 -2.208 -2.487 -0.621 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -3.408 0.795 -2.623 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -1.494 5.339 0.271 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 -3.440 2.800 -3.128 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -3.009 4.595 -9.751 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -0.551 2.646 -43.200 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 -2.596 0.373 -15.848 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 -3.156 0.860 -7.784 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 8.919 7.931 -4.686 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 -16.254 -5.057 -10.197 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 -4.952 5.340 -4.801 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 0.326 15.603 -10.561 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 -11.438 27.136 -3.269 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 2.798 5.290 -7.626 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 5.096 -4.445 -2.314 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 -11.266 27.801 1.167 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 0.523 -9.293 -2.560 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 1.719 0.856 -3.578 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 6.013 -0.213 -6.042 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 7.776 -5.244 -1.765 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -3.756 10.898 -11.100 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -6.764 -16.831 8.193 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 -5.007 0.710 -0.738 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 -0.330 7.318 4.326 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 -5.595 4.329 -6.996 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -2.551 -5.719 1.618 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 -9.205 1.057 4.625 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 -12.178 -0.499 16.606 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 2.674 1.242 2.790 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 -12.798 -0.190 18.715 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 -24.563 14.381 -3.205 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 -0.173 4.922 -2.899 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 10.533 -20.073 18.255 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -17.789 5.167 12.043 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 -3.507 -0.350 -2.427 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -13.252 -17.295 -1.178 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 -4.619 -10.895 4.172 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 2.061 0.211 -6.355 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 3.934 -7.373 -16.298 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -2.031 -2.814 -2.632 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 -0.484 2.064 -1.888 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 5.646 8.965 3.250 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 12.212 14.681 6.969 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 -3.465 8.944 -4.264 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 -4.042 9.479 -6.918 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 -6.919 4.382 -7.624 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 -2.132 0.440 -7.274 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -7.736 9.079 0.342 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -7.641 -8.789 -5.949 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 -3.755 2.460 3.304 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -15.633 2.821 -2.990 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 2.588 -5.483 9.571 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 6.465 -2.693 1.108 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 2.390 3.451 -14.192 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -10.586 7.621 -1.004 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -0.700 -4.774 -6.367 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -2.323 -2.389 -10.297 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 26.131 -15.367 4.324 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 -3.377 3.206 3.647 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 16.345 -3.267 7.870 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 3.810 -9.580 9.950 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 -0.496 -2.162 -0.893 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 4.848 0.061 -11.896 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -19.875 -5.922 12.354 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 1.458 2.240 3.856 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 3.655 -12.372 7.365 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 0.834 10.954 6.346 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 3.768 2.732 5.342 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 -15.201 7.098 2.651 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 21.215 0.475 0.808 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -0.449 -1.339 -5.476 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -13.266 -6.395 10.893 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 5.349 -19.821 7.572 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 -5.265 3.254 -1.230 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 -6.708 -3.011 7.388 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 -3.150 -14.627 -25.989 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -1.233 -3.018 -1.221 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 -7.598 13.170 0.497 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 19.901 -9.646 18.147 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 8.819 -2.576 -2.961 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 1.193 7.171 -7.050 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 4.491 -2.532 -16.005 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 -0.147 -0.829 -3.929 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -14.316 21.045 -2.254 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 -15.524 17.354 -2.777 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 0.089 1.519 -0.010 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 1.971 20.698 25.193 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 8.276 -2.756 -9.522 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -3.264 -3.297 4.677 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 -1.733 -2.875 -2.718 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 -1.575 -1.220 -2.040 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 6.848 0.101 1.337 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 16.503 16.417 11.226 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -3.975 0.642 9.666 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 -6.318 6.649 -3.494 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 -15.469 -1.731 11.805 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 16.030 6.670 9.255 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 -1.873 4.830 2.639 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 5.488 2.173 0.199 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -8.323 8.917 3.455 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -1.794 5.763 0.255 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -3.686 -19.994 -7.593 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 22.937 19.451 -6.862 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 1.445 2.765 -5.282 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 9.357 9.824 -11.426 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 10.799 12.748 -3.263 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 5.740 -8.386 -1.021 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 7.827 -9.524 2.671 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 1.923 -6.787 2.817 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -1.117 2.591 -1.787 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -18.090 18.062 11.626 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -9.864 -8.199 -6.700 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -3.698 -6.146 0.297 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 20.259 -22.998 2.282 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 -1.998 7.857 -6.434 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 4.563 -2.263 -0.982 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 -4.922 4.417 -11.557 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 -12.463 -3.761 1.671 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 5.280 -2.606 -6.279 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 7.533 -9.837 -4.982 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 6.510 2.262 -6.320 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 1.966 4.418 -1.310 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 0.225 8.728 -13.391 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 3.194 3.567 -1.833 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 -3.661 -2.198 -3.966 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 8.434 -14.855 -14.489 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -2.739 -12.607 -15.056 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 7.156 0.577 -0.403 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -16.878 -16.218 11.812 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 3.534 5.288 -5.083 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 -0.585 -6.345 1.295 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 -10.334 -18.237 -0.483 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 -29.264 -16.677 -32.911 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -2.117 5.333 3.890 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -6.425 5.306 -2.799 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 -12.118 4.858 4.375 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -0.834 -1.764 2.444 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 12.474 -17.924 -19.661 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 18.538 38.262 26.030 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 3.891 7.456 4.384 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 -6.366 -18.719 32.246 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 18.564 -14.363 22.347 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 7.497 1.956 -2.291 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 8.127 2.910 -3.315 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 1.824 -6.481 -3.323 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 -3.670 1.050 3.800 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 -2.946 -1.076 4.306 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 -1.972 14.474 20.025 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 8.279 1.152 -2.097 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 6.080 -7.986 1.797 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 0.603 9.859 4.089 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 4.070 -3.914 -1.651 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 5.137 -2.373 1.902 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 20.024 12.004 21.116 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -1.996 7.156 5.131 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -1.470 -11.438 -10.366 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -2.243 10.700 6.962 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 3.010 -1.641 0.037 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 -3.459 -10.464 1.015 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 20.377 25.746 15.276 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -2.751 0.965 2.485 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 11.386 10.271 -1.125 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 6.001 -7.857 -5.500 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -8.367 -3.256 -4.214 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -13.468 2.971 -5.241 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -4.315 -12.998 -10.424 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -2.448 0.347 3.352 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 1.809 5.874 -5.770 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -16.361 -1.632 3.543 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 -1.747 4.792 -3.861 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -5.653 6.860 -4.127 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 4.381 3.463 -9.746 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 3.343 -2.832 -8.840 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 16.448 -1.046 9.996 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 7.100 9.518 -28.551 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 5.685 3.173 -0.192 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 11.354 1.572 -11.775 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 4.103 -1.840 -9.288 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 4.913 -2.466 -1.519 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 18.735 1.975 -0.552 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 -13.869 -9.919 -14.080 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 -9.492 0.032 -1.322 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -10.219 -17.650 3.011 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 2.312 31.586 20.643 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 -3.314 -0.745 8.163 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 10.770 -9.242 -2.063 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 -6.024 -1.794 9.387 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 3.182 5.305 3.460 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 -4.081 4.025 1.040 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -0.354 5.835 7.549 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -5.229 0.659 -0.889 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -4.131 -1.765 8.030 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -16.920 -9.144 -0.171 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -8.390 -2.471 -4.322 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -15.506 2.068 -3.019 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -14.941 -11.245 -7.074 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 -10.108 -0.562 -1.475 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 9.816 7.384 -0.420 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -10.253 14.099 13.488 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 -9.027 -7.439 1.811 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 -5.328 -16.824 -5.484 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 -8.361 4.097 -7.289 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 5.108 2.640 7.705 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 14.131 -4.167 18.465 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 6.124 0.414 5.681 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 0.966 -2.890 1.410 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 -5.062 -2.808 0.222 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 3.703 -1.720 7.586 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -3.881 8.268 1.462 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 -5.048 6.645 -13.342 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -14.539 -0.119 -3.677 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 -0.708 3.222 4.147 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 -13.226 34.000 -13.326 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 1.949 -9.495 3.894 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 0.174 -1.027 2.704 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -1.623 -0.353 5.948 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 7.951 -20.341 -6.649 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 8.112 5.725 5.779 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 16.670 1.473 0.610 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 21.194 -1.996 -4.433 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -0.002 -2.595 -2.606 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 9.034 7.590 -7.986 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 9.894 9.082 -4.013 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -3.274 4.039 0.736 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -5.226 2.104 -2.441 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -2.564 2.746 1.508 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 1.281 -3.676 5.872 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -10.083 -2.512 11.611 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 12.827 4.919 23.448 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 2.854 1.991 7.225 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 -3.873 3.019 8.515 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 -6.614 -1.983 7.833 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 7.123 -0.534 1.684 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 1.155 -18.689 -12.433 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 3.962 9.550 15.496 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -1.615 -2.017 -4.707 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 -1.427 -16.560 -1.058 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 -0.727 13.841 -5.392 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 -0.698 5.705 -2.566 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -13.123 14.427 -9.111 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 -8.337 3.159 5.757 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -4.543 -1.215 -0.216 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 7.176 -2.374 -0.507 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -1.828 -9.580 1.794 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 3.704 5.380 1.138 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 -1.639 -1.525 8.871 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 0.134 15.892 -14.120 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 2.633 -1.362 -6.111 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -3.073 -7.999 -4.888 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 1.176 -7.518 -4.858 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 0.790 0.285 3.322 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 -13.683 0.911 13.791 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 12.837 -4.019 -14.972 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 3.788 -0.400 -6.883 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 4.330 14.397 3.264 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 4.569 -20.970 -0.353 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 1.890 -5.932 2.046 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 0.170 2.523 -10.364 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 7.248 -15.147 2.501 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -0.990 -2.118 3.681 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 -4.408 -3.921 0.641 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -7.354 -4.332 -0.777 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 0.542 4.913 5.141 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 -9.679 6.808 29.703 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 6.167 -7.077 8.843 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 1.180 6.831 5.529 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -4.851 7.646 -7.985 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 25.009 11.329 5.277 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 -4.666 5.111 0.452 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 5.573 10.862 -0.055 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 3.998 20.302 5.371 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 -0.092 4.787 0.430 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 6.406 -3.021 -6.698 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -21.785 24.932 11.730 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 -2.596 -4.678 4.597 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 3.521 0.609 -8.177 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 -2.797 -5.005 5.437 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 1.190 6.441 2.992 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 9.497 -1.461 19.511 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 -17.382 -8.297 1.004 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 0.114 3.357 0.438 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 -13.300 11.723 1.517 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 7.551 11.032 6.878 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 -1.679 -0.497 1.128 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -19.483 -11.917 6.917 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -3.012 10.624 7.474 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -1.332 2.374 -1.728 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 17.425 31.844 12.428 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 12.602 -10.128 16.188 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -3.657 -0.742 -5.526 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 19.396 12.367 -8.036 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 20.515 12.933 -8.553 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 -9.131 1.886 -2.596 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 7.169 -5.676 -16.279 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -19.217 0.738 -5.693 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 2.408 5.320 -3.452 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 13.213 -3.810 -2.569 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 -4.275 5.238 -17.662 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -2.114 -3.621 -8.500 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 -3.871 -3.468 -11.811 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 26.914 46.170 -25.380 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 3.234 -4.415 -3.845 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 -20.886 13.869 -18.936 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 21.753 -10.376 13.369 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 1.681 0.702 -1.285 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 -9.201 -0.175 13.167 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 -11.351 -0.280 16.292 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -2.828 -2.245 6.341 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 -0.834 -5.741 -0.273 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 18.580 6.566 3.739 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 -0.848 -0.210 4.982 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -3.783 18.735 -3.397 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -14.921 -9.022 7.248 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 -0.645 2.151 0.845 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 -4.017 1.348 30.374 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 4.885 19.714 7.445 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 2.175 2.415 1.022 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 3.161 -9.090 24.449 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -0.246 6.735 0.451 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 7.649 -5.158 -1.220 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 10.025 -14.510 -8.681 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 2.136 1.759 7.569 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -0.332 -4.040 -2.099 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 -11.918 3.607 -7.040 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 -23.834 22.153 1.776 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 10.865 1.218 -1.045 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 2.591 -0.219 -16.343 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -0.714 16.688 -1.259 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 0.086 -2.042 2.941 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -8.946 -0.570 4.633 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 1.403 -10.538 3.169 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 -5.409 0.273 1.806 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 15.447 27.611 1.746 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 8.591 -6.717 18.010 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 -1.247 -2.100 -1.898 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -17.548 -38.540 -23.909 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 -27.194 -2.483 -10.519 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 0.297 -7.441 4.081 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 12.405 17.668 22.378 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -1.724 -14.038 8.120 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 3.235 1.186 1.337 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -0.355 2.694 2.409 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -18.401 13.387 12.120 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 1.200 -2.585 -4.029 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 20.729 -7.800 -9.063 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -0.265 20.523 -3.642 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -4.866 4.492 1.310 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 13.923 -17.113 15.753 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 1.183 11.184 3.695 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -1.397 -1.427 3.444 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 -5.453 -0.421 5.789 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 -1.621 -27.157 -13.527 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -3.178 3.012 11.536 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 -2.818 -5.137 10.028 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -8.340 -3.702 30.160 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 0.740 2.517 -0.783 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -0.524 10.588 1.728 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -1.817 -4.322 -0.253 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 10.444 7.676 1.311 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -14.430 11.097 5.555 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 22.867 -1.438 15.659 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 2.502 5.876 -3.545 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 0.726 5.636 -4.516 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 12.254 24.473 -4.678 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 0.594 -1.644 7.378 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -5.703 -3.494 19.377 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 -5.867 4.822 -3.190 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 3.584 -1.059 -2.193 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 8.647 -4.715 0.491 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -0.017 -3.626 3.220 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 0.418 -0.145 -1.514 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -11.558 -17.779 2.471 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 4.460 1.411 -20.504 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 -2.013 1.380 -2.081 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 -8.004 -2.280 9.488 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 -0.121 3.516 -7.346 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 4.437 6.955 -1.245 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -11.649 3.579 -5.002 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -1.399 3.676 0.742 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -2.822 2.297 -1.709 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 6.248 7.807 -4.103 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 1.739 -7.075 7.836 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 1.116 -2.058 2.556 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 1.880 -0.572 8.260 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -7.377 -2.958 -4.510 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -0.252 1.545 -0.283 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 16.367 -3.582 24.608 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 -23.911 21.598 11.314 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 1.914 0.371 3.304 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -9.652 6.485 6.788 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 14.708 2.503 3.672 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 0.395 -7.608 7.293 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -20.748 1.618 13.125 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -37.243 7.472 13.052 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 1.129 -4.200 7.026 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 -11.571 -13.166 1.050 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 2.501 6.087 6.786 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 -0.003 -4.805 1.992 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -16.722 11.080 -1.858 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -8.703 -2.108 3.638 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 0.958 -3.970 -1.678 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 1.070 -0.550 -12.579 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 4.882 0.026 3.279 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 -4.502 -2.636 0.264 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 20.606 -7.777 3.622 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -28.409 -7.964 1.559 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 8.504 -0.450 -0.833 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 1.968 -11.117 -1.868 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -17.244 23.691 7.333 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 -0.217 7.159 6.807 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 -1.271 2.869 7.687 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -1.312 28.706 6.827 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 1.626 0.703 -3.323 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 7.425 21.209 11.424 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 2.866 5.960 0.339 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 2.093 6.561 -2.102 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 1.305 -8.595 -1.225 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 14.619 9.476 -8.720 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 3.523 2.509 2.172 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 -11.414 5.595 -0.759 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -2.656 -2.945 8.047 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 4.417 2.715 3.119 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -8.991 -32.819 24.101 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 5.149 -3.170 -9.328 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 -4.019 -2.446 -5.186 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 -21.983 2.418 -3.176 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 6.001 -23.609 -14.560 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -4.133 -3.480 -9.847 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -13.700 -11.359 -3.086 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 14.159 -3.715 -3.266 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 -2.161 -0.373 -1.033 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 7.168 4.868 -18.937 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 -23.491 -11.429 37.601 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 3.563 4.944 2.718 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 11.711 12.395 -2.854 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 -6.488 13.631 22.139 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -0.375 2.169 -4.377 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 -23.295 -3.303 -7.502 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 9.094 16.974 -2.006 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 2.810 1.004 -2.805 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 9.476 3.277 -0.160 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -13.495 -4.939 -8.195 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 -3.067 -1.619 -5.632 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 6.711 -1.409 5.037 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -5.205 2.583 -24.643 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 3.112 -2.112 -2.990 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 10.786 -14.949 11.266 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -10.249 13.552 -16.896 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 -4.329 1.711 5.387 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 15.893 6.202 23.644 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 -44.054 -22.867 -16.293 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 -1.598 -3.326 -7.535 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 -5.418 -0.185 -10.972 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 2.233 8.497 -8.590 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 2.969 -0.633 1.271 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 28.120 4.369 13.675 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 11.289 -29.697 -12.825 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 -2.504 -1.673 -1.168 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 -13.004 -3.878 -2.225 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 5.178 -16.931 -22.270 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 -4.461 -0.473 -2.813 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 8.246 -3.203 10.037 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 -1.376 3.074 -2.504 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -6.086 -2.626 3.423 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 -7.280 5.523 17.552 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 14.586 6.087 -5.732 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 0.027 4.842 7.189 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -31.307 8.133 0.892 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 1.564 3.092 2.547 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -2.280 -6.609 -3.220 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 -10.954 2.589 -1.461 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 -2.881 9.011 -6.420 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 1.925 1.140 -4.628 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 9.118 -3.009 -9.385 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -20.805 10.911 9.151 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 2.187 -6.159 -1.193 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 -14.151 1.556 -3.023 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 -7.454 -24.023 12.866 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 6.623 -8.017 -1.058 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 15.920 17.438 -23.321 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 4.209 -19.786 -31.503 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 -2.941 -2.454 -3.287 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 -2.892 0.060 6.063 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 16.798 -7.076 5.896 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 -4.106 5.346 -1.404 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 1.374 -3.583 -0.941 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 11.379 -16.731 -1.020 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 4.756 -0.200 -1.833 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 -6.063 14.871 6.643 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 -8.354 2.765 10.539 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 2.209 5.212 -7.024 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 -2.336 -1.656 -14.562 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 -4.789 -28.036 -7.518 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -3.803 7.600 -0.354 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 5.122 -1.991 3.036 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 -20.154 20.819 -4.617 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 0.044 -3.846 -3.885 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -0.983 -1.790 -6.976 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 -1.605 -1.172 -9.668 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 0.433 1.670 -1.514 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -13.777 0.369 -8.975 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 10.145 14.328 -12.992 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -2.213 -7.501 -5.547 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 -9.923 -24.349 9.260 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 2.839 -9.360 0.780 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 6.360 -2.941 0.709 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 27.532 1.511 18.268 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 -31.566 12.738 18.841 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 4.516 0.210 -4.887 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 6.528 -9.327 -2.215 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 13.545 9.053 7.280 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -4.524 -1.543 0.778 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 2.144 2.625 14.189 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -17.755 0.827 5.047 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 -4.258 2.693 2.683 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 13.158 -0.939 -10.251 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 -5.234 -11.505 22.315 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -1.646 2.102 -3.768 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 13.011 8.016 -13.594 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -12.271 -2.875 2.266 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -5.454 -0.644 6.465 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 21.887 2.190 3.485 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -1.142 -7.954 1.640 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -1.702 -1.712 5.876 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 -22.513 -11.745 -3.382 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 -32.271 -14.760 3.902 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 2.581 4.487 2.912 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 9.857 -15.420 -1.511 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 -4.308 6.114 -18.642 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 4.313 5.914 -0.690 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 4.274 2.861 9.930 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 1.998 -1.147 -3.555 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 -0.091 4.546 1.991 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -7.750 1.224 -1.622 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -6.620 14.168 10.908 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 -0.515 3.597 -1.819 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -7.397 3.452 2.040 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 -18.942 -7.915 17.105 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -0.909 1.947 3.912 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 7.361 -6.537 -2.680 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -11.037 18.104 24.556 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 -2.816 2.930 -1.947 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 9.708 16.030 -18.166 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 9.999 -2.911 -29.162 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 1.131 -4.777 -0.220 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -11.749 -0.252 -7.672 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 -20.942 5.028 -12.605 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 -0.148 -6.621 -0.839 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 -0.227 -12.709 0.849 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 10.302 -5.669 13.645 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -4.925 -2.921 -0.931 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -17.988 2.595 -28.665 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 -23.311 -13.931 -10.732 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 -2.823 -2.721 -3.998 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 10.642 -14.063 -13.461 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -0.575 -4.706 -5.763 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 3.757 2.606 -1.866 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 25.162 -7.345 -1.235 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -7.395 -7.124 9.860 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 -2.551 -7.408 1.724 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -29.371 -21.113 -28.759 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 33.841 1.627 -17.191 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 -1.365 -5.370 -2.614 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -12.275 8.638 -22.881 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 10.549 -0.391 -18.262 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 3.600 3.646 2.706 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 9.421 1.538 1.775 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 1.041 7.439 -5.259 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 2.912 2.267 2.586 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 35.090 -7.198 -0.088 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 -10.677 13.559 18.247 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 3.840 -0.291 9.260 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 -1.770 11.387 0.199 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 3.718 13.261 5.029 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 3.854 3.794 0.744 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 17.353 -14.038 5.876 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 8.778 -40.805 17.195 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 0.389 -6.040 4.314 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 -16.620 -17.857 5.041 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 -10.899 3.621 14.339 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -1.813 2.226 4.058 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 -14.800 -1.877 6.823 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 7.423 8.655 -6.424 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 1.253 4.696 -0.366 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 37.324 15.656 -28.902 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 -4.750 3.579 -5.285 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 4.501 -2.687 1.197 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 3.198 -9.658 8.234 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 7.100 -5.617 2.257 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 0.156 -1.293 -3.930 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 1.103 5.465 -0.469 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 -1.249 -0.395 -10.137 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 3.548 2.925 2.573 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 28.370 -5.161 5.243 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 5.355 -22.301 -22.771 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -0.362 0.812 2.359 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 20.274 -14.372 31.061 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 -13.404 -31.112 3.202 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -8.125 4.424 0.625 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 -12.075 8.557 -3.243 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -10.288 3.677 -26.276 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 -0.334 4.344 1.367 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 -12.618 0.467 20.699 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 -5.002 -3.871 -3.330 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 -0.053 2.999 5.669 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 20.342 6.086 7.299 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 -10.901 -16.131 5.520 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 1.837 -2.230 -4.922 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -15.322 8.275 -2.719 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 -15.782 -17.346 12.443 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 2.310 4.095 -7.932 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 -1.350 3.634 -2.884 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 13.392 -1.758 -4.992 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 6.719 -3.552 2.017 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 7.622 19.186 35.201 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 8.173 3.263 11.978 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 -1.651 -3.859 3.053 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 2.919 2.727 -1.863 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 0.886 0.041 -4.098 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 -4.994 1.817 1.948 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 -13.326 -5.040 -8.229 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -15.755 3.950 23.626 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 -6.320 -3.437 -0.614 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 2.298 1.220 -2.722 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 -7.584 -11.828 8.234 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -6.343 1.550 -2.067 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 -21.515 15.308 -33.095 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 -17.044 35.058 -10.671 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 0.426 -0.352 -5.962 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -21.089 8.969 9.651 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 -17.387 -0.304 3.865 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 2.384 -1.996 -2.238 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -0.926 8.015 12.999 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -1.311 -15.432 6.527 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -1.415 1.425 -5.727 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 9.939 -0.807 10.533 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 25.631 -2.868 14.702 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -0.406 3.554 -2.384 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 -17.957 7.633 -10.766 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 -0.309 1.474 -0.195 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 1.283 -5.660 2.875 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 8.922 10.897 10.341 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 -20.729 -2.301 1.586 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -1.318 1.531 2.071 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -0.497 0.991 -5.194 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 -11.252 1.338 -3.039 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 -3.157 -3.896 8.592 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 11.038 0.285 -6.101 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -15.926 5.406 0.072 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 3.722 3.946 -0.666 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 9.580 1.762 0.608 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 15.582 -0.495 1.942 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -0.727 0.516 -5.217 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -7.190 14.273 29.148 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 -2.749 2.609 0.924 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 3.358 -2.193 6.606 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 3.314 -8.984 8.653 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 3.665 -15.609 13.666 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 2.865 -0.226 2.087 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 -0.386 11.481 -1.841 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -7.524 -2.144 11.601 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 -0.480 -0.309 3.208 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 -27.180 -11.847 20.268 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 19.994 -1.399 16.013 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 7.909 -0.430 1.286 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 7.181 -5.312 0.132 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 -5.206 4.311 -16.683 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 -7.187 -0.176 1.651 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 -14.102 -7.021 -7.889 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -14.026 4.471 -17.142 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -0.196 -3.529 -5.425 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -1.250 -6.680 -3.542 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 2.145 -33.119 5.691 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 -1.266 -0.029 4.729 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -1.389 8.723 -8.792 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 -2.465 10.207 5.036 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -5.766 -2.618 -0.217 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -29.107 -15.846 -0.362 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 3.944 3.760 -2.056 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 2.226 2.946 8.600 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -13.004 -6.308 -16.886 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -6.022 -5.831 -7.218 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 -0.386 0.920 -1.678 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -4.295 -11.882 -4.947 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 4.355 21.912 2.777 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -6.418 -2.920 8.317 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 -23.019 -20.169 1.592 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 7.187 8.488 18.617 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 5.488 -4.079 -1.164 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -1.057 -10.988 -1.254 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 7.536 2.556 -0.374 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 4.556 1.781 -0.389 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 5.605 -1.972 -3.730 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 -2.676 -3.858 3.696 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 7.926 -7.679 5.283 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 12.102 -0.194 20.376 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 -8.947 -15.285 13.605 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -3.836 -9.615 0.418 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 3.239 -3.370 -9.731 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -8.668 0.505 0.022 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 2.474 6.329 7.507 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 11.982 -7.616 9.003 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 -3.687 13.583 -18.258 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 2.015 -8.778 -2.086 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 3.112 -8.465 -11.830 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -5.747 -11.379 9.782 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 -1.440 -5.024 -0.080 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 7.811 -6.829 -11.050 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 -6.758 7.799 -5.131 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 -0.356 -4.038 -0.041 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 16.115 -11.511 -6.297 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 -4.926 0.128 1.241 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -2.564 -11.322 -6.075 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 -12.236 -38.346 7.586 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -4.143 12.963 15.207 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 3.257 -4.596 6.765 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 -10.396 -12.954 30.713 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -3.915 -2.612 -10.165 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -3.311 6.036 0.522 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 -11.178 12.902 1.278 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 5.584 2.777 -13.321 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -0.536 -1.572 0.214 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 6.615 4.621 2.896 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 4.395 15.342 25.462 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -4.575 3.881 -7.189 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -19.705 -6.609 7.290 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -3.033 3.755 -9.952 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -2.844 3.451 -0.192 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 10.681 17.532 3.571 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 14.415 -0.589 4.845 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 3.256 3.021 0.580 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -6.536 15.076 -2.271 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -1.714 -11.096 -1.688 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 0.405 -0.896 2.670 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 -8.048 -9.764 15.014 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -11.674 13.113 -0.611 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 -0.100 0.012 -1.252 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 6.485 2.794 -9.536 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 -1.474 -4.101 -4.032 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 0.989 -1.919 0.589 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 -17.425 -9.936 -15.247 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 8.073 -19.204 -18.161 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 -2.166 7.939 0.437 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 15.790 7.831 1.738 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 -2.901 -7.511 10.406 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 -1.882 -1.269 4.421 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 6.775 -7.676 16.052 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 10.653 -2.006 13.130 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -1.686 -3.564 5.047 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 1.971 3.232 4.501 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 -4.293 -6.842 -6.879 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 -1.813 10.426 2.756 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 5.496 13.737 -23.652 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 2.965 8.261 -32.503 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 -3.605 -2.572 -7.465 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -0.212 -2.420 3.848 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 1.721 -5.053 -9.284 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -3.358 3.934 4.802 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 13.736 5.490 8.305 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 -4.659 -10.463 -1.243 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 0.147 0.962 3.297 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 7.278 0.819 0.296 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 17.078 -3.001 5.227 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 2.348 4.116 3.116 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 2.309 -9.555 -20.055 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 2.076 13.887 10.641 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 -4.871 1.448 -1.338 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 8.708 1.723 3.204 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 -21.920 -9.860 -7.780 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -1.003 1.426 0.526 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 21.300 26.297 -2.820 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 6.534 -7.670 -18.964 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 3.088 -0.791 3.970 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 7.661 33.801 5.594 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 4.589 12.871 -2.268 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 2.605 8.735 -2.757 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 8.791 -2.675 -0.753 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 -4.081 14.422 -11.414 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 -7.255 4.613 -3.488 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 9.386 15.330 7.190 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -8.354 -15.677 -5.786 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 -9.100 -9.697 -0.750 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 -7.859 -8.079 -0.036 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 -19.134 -4.022 -6.654 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 4.759 0.312 -2.114 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 12.369 8.720 -13.573 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 -1.653 5.141 8.969 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 -1.837 -4.779 -3.817 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -2.164 1.854 -3.363 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -6.093 -5.034 -4.003 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 2.750 -4.019 -2.161 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 14.321 6.734 3.033 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -2.468 -9.048 -4.023 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -3.658 -0.559 2.235 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 10.573 3.199 1.903 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 -9.302 7.677 12.787 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -0.835 0.883 4.416 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 9.022 13.486 -19.711 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 -13.637 -16.468 42.985 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 7.026 3.331 5.155 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -5.379 -0.813 2.788 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 19.629 -1.941 -4.272 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 0.407 -1.549 6.156 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 -1.065 3.235 15.668 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -1.357 2.778 -3.265 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 3.851 -1.929 6.003 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -7.354 -10.938 15.933 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 5.299 -0.108 3.045 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 -2.922 -7.140 3.803 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 1.559 6.611 3.707 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 -1.648 -1.612 3.239 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -1.021 -3.446 -2.234 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 -30.567 3.239 8.374 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 3.966 -10.110 -1.009 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 10.956 -1.930 4.514 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 8.904 17.582 -2.120 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 10.611 -11.034 -9.329 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 -0.474 1.835 5.362 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 -4.255 -4.405 5.737 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 16.905 -12.461 22.416 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -1.957 0.730 5.004 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 4.701 1.426 3.850 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 2.371 8.018 1.735 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 0.199 2.321 5.938 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 -3.710 6.452 -0.143 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 -11.658 1.967 -1.873 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 3.138 -7.140 2.016 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -20.949 -8.571 0.236 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -15.899 -5.683 -5.678 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 5.284 2.699 -6.481 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -10.789 -16.887 0.024 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 16.562 3.689 -2.605 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -0.184 -1.146 4.493 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 0.285 -28.199 -8.455 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 -9.265 4.423 -1.839 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 5.363 -1.537 -7.487 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 -7.208 -14.540 -21.264 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -2.540 2.999 8.132 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -4.781 -1.544 -1.494 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 29.209 -18.582 14.427 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 -3.011 -3.349 0.867 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 -0.421 -3.138 -2.512 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 0.481 -2.998 -11.237 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 3.300 0.306 9.600 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 -1.839 -11.656 7.974 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -12.830 -19.032 -18.566 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 3.283 -27.633 -0.115 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -2.151 4.972 -6.321 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 2.407 -6.175 5.068 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -9.275 25.710 -9.299 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -7.597 0.485 4.321 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -10.938 0.114 33.047 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 -3.899 -13.417 -8.137 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 3.872 -3.573 3.434 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 29.441 -7.320 -4.021 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 10.041 -0.778 6.247 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 -6.377 -0.343 3.524 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 -17.154 20.498 -19.473 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -3.371 0.638 -8.953 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 6.750 2.739 -0.501 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 12.122 4.066 1.830 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -7.307 -2.704 -7.880 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 -3.679 7.396 4.634 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 -11.448 8.706 5.369 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 -2.472 12.876 3.306 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -1.160 0.374 -1.826 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -6.699 5.507 -5.697 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -3.584 -1.655 -7.826 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 8.928 2.741 -4.490 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -1.190 3.540 -21.119 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 22.084 -1.981 -14.049 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 3.479 3.881 2.725 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -25.909 22.548 -19.772 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 -13.609 21.063 3.600 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 4.091 -3.162 2.288 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 5.948 -4.244 1.782 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 8.081 -7.475 20.370 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 6.061 7.471 -1.791 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 11.160 -8.770 -17.746 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -5.479 -9.599 -7.379 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 1.844 -6.292 -4.583 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 13.677 -32.804 -15.379 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -18.502 9.693 13.092 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 -2.414 3.172 -3.675 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 4.412 8.177 -6.051 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 -7.209 7.830 -10.093 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 -0.962 5.362 -4.547 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 28.369 26.861 25.616 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 6.041 -0.688 3.922 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -0.324 -2.196 -0.152 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -0.707 14.967 -9.921 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 -2.473 -13.312 -2.200 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 -6.579 -0.110 3.586 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 1.395 10.332 7.838 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 -25.432 -14.912 12.178 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 0.109 1.449 -1.982 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 27.125 -5.666 7.145 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 -11.156 -19.467 -21.616 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 0.701 7.727 1.719 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -1.436 3.595 -2.970 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 -4.271 -7.338 33.772 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -0.030 -4.174 -3.080 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 13.671 -7.569 5.507 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -0.276 -12.620 1.597 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 -0.482 3.432 -1.981 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -6.909 17.715 2.740 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 -3.623 10.689 -2.808 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 4.762 4.642 0.636 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 8.231 7.252 1.496 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 0.919 -1.376 -3.059 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 1.478 -0.359 -6.214 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 2.346 -6.000 -5.215 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 3.391 3.742 -4.904 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 -3.610 -2.217 -4.887 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 3.818 -13.505 2.172 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 -3.306 -5.676 3.177 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 -0.582 4.750 -7.981 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 19.127 20.976 -1.352 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -12.953 15.045 -4.676 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 0.389 -0.297 -2.004 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 5.853 -14.880 -3.710 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 -3.535 5.993 3.249 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 3.811 1.261 -1.979 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -17.289 -3.219 -4.247 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 -5.326 -0.949 -2.734 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 2.556 0.718 -1.583 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 0.724 -27.489 3.794 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 -3.198 -26.229 -2.643 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 1.968 1.833 -0.691 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 -3.148 -17.059 -2.405 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 8.770 9.485 4.247 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 0.096 3.182 -0.413 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 1.294 -6.014 -15.194 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -2.681 -3.560 -9.624 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 -3.994 -2.556 -3.661 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 4.156 2.311 -12.717 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -12.116 19.139 -3.542 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -3.619 3.537 -2.236 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -3.042 4.009 4.889 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 12.419 -6.735 -18.306 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 -7.917 -0.681 6.968 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 -7.107 8.557 -5.466 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 2.358 6.772 -4.570 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 4.584 4.609 -4.514 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 18.100 -13.156 -7.203 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -1.528 -1.452 1.899 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 0.558 2.381 -4.540 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -11.286 -16.991 -9.486 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 21.512 -5.069 4.281 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 0.580 -2.358 0.395 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -7.759 -19.444 7.719 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -6.033 -2.740 -1.134 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 -1.483 -1.800 -7.216 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 21.114 -20.206 -20.039 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 18.056 8.964 -16.004 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 1.869 -1.440 -6.255 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 2.509 -1.819 -1.303 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 10.930 22.740 -0.507 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -5.416 2.682 1.307 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -5.980 -3.555 -5.434 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -8.811 -14.414 -16.164 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -4.905 0.597 -0.092 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 -0.327 -0.098 3.203 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 2.677 -0.536 19.541 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -0.167 0.570 -0.144 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -5.923 -6.161 5.974 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 0.237 8.158 6.980 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 -4.850 1.728 -0.648 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -14.144 -4.240 2.790 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 -1.039 -8.233 -0.178 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 2.770 1.825 -1.855 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 -2.247 -0.483 7.792 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 10.067 14.972 2.527 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 -6.314 -7.745 9.711 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 -4.569 -6.072 1.293 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 -10.342 -22.620 4.591 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 0.461 -0.745 -4.894 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 1.060 -25.113 -3.943 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 0.305 -13.278 -4.748 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 3.468 -7.605 -1.512 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 2.259 -18.973 7.736 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -0.708 6.274 5.081 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 -0.955 -3.798 -0.395 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 -9.145 -16.198 16.226 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 9.578 20.004 13.079 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -0.298 1.417 1.919 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 10.745 -33.065 2.379 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 1.749 -4.141 3.563 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -9.166 8.461 -2.160 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -23.236 4.843 27.486 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 4.316 0.328 -8.774 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -0.696 -0.489 5.495 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 2.832 -16.608 -7.400 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -26.239 2.918 12.863 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -3.805 5.204 1.897 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 22.540 -29.601 -9.908 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 1.972 22.323 2.827 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -2.028 -3.170 7.718 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 1.206 -25.737 -6.587 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 10.021 -23.880 -16.704 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -0.333 -4.733 0.445 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 5.462 -12.842 -3.920 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 14.412 1.474 -12.603 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -4.127 -2.335 7.720 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -8.738 -21.138 3.370 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 4.783 -2.184 8.329 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -1.672 -7.318 -4.845 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 3.509 19.665 -7.161 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 4.592 9.182 -9.383 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 -1.723 -6.784 5.836 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 1.648 20.300 -19.125 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 18.613 -8.389 3.746 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -3.767 -0.771 5.987 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -21.461 -4.394 -9.457 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 12.350 11.956 4.166 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 -4.543 1.020 3.996 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 -5.812 4.059 3.682 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 -5.926 -5.870 6.728 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 -1.865 -5.688 5.481 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -0.565 -7.691 8.636 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 -9.818 -7.583 11.643 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -4.586 -1.645 -4.608 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 -1.533 1.435 -2.594 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 12.180 2.595 -16.643 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -5.710 0.444 10.717 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 0.827 1.716 2.017 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -14.766 28.062 7.813 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 11.903 -6.721 -1.921 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 14.405 -15.565 9.378 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 -0.589 -10.439 -4.614 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -4.459 -1.023 1.196 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 4.938 -7.702 20.283 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -1.264 12.590 -7.878 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 2.275 -3.539 1.818 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 1.399 -8.854 12.840 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 -0.997 -6.091 -3.181 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 7.081 -4.548 1.853 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -17.300 -17.533 -13.616 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 -2.445 18.155 25.703 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 2.730 -6.224 3.403 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -14.622 4.269 -0.970 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 -2.347 -1.608 2.234 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 1.365 -2.393 0.584 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 32.044 1.194 -26.180 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -5.206 -15.786 -11.483 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 -2.584 2.694 1.937 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 -5.977 -4.158 5.546 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 -19.965 -9.349 -10.749 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -4.188 3.565 5.392 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 18.382 23.647 10.937 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 15.329 -4.292 1.069 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 2.152 -0.795 -0.220 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -6.398 -6.056 -7.404 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -18.995 -19.983 -16.278 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 -3.381 0.581 -5.955 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -20.377 5.646 -1.059 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -1.055 6.152 -17.011 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 1.031 -4.120 5.459 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 -9.870 -6.517 7.484 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 -8.661 -8.496 2.801 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 0.202 -3.131 -0.106 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -6.064 -12.337 9.177 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 4.508 13.864 -14.196 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 -2.066 -3.376 -0.031 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 2.224 -10.769 27.979 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -0.700 -0.833 24.956 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -3.164 -10.314 0.426 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 10.257 13.371 -6.740 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 9.377 -29.353 29.566 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 -1.403 -4.112 -0.172 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 2.736 -17.657 4.185 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 7.763 -9.804 -8.206 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 2.426 -5.118 -1.090 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 13.940 -16.171 -12.037 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -5.331 11.659 -15.306 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 12.604 0.807 1.028 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -4.926 -3.390 31.542 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 20.562 33.437 -10.216 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -1.137 1.636 6.659 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 0.853 10.442 6.831 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -0.763 12.666 11.846 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -2.065 -7.018 4.460 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 -17.765 17.085 27.365 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 32.016 -5.020 -11.063 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 4.797 -4.053 -3.360 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 4.231 -3.613 -3.919 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 -35.297 2.715 -0.579 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -0.511 -4.911 3.539 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 -0.020 4.947 10.042 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 -2.979 -7.871 12.575 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 6.391 -5.782 0.442 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 12.433 0.563 2.697 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -13.704 -8.981 -8.099 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 0.507 1.820 0.007 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 5.664 2.641 5.020 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -7.654 3.914 -6.163 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 1.277 -5.034 7.793 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -8.905 1.097 12.647 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -18.513 -6.277 10.419 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 0.315 0.655 -2.238 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -9.598 25.553 -9.507 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -6.503 -12.069 -2.006 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 8.241 -3.453 4.290 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 -8.008 -22.505 -13.637 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -20.872 -6.705 11.629 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 2.447 5.323 3.957 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 12.679 0.994 2.670 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -3.739 -2.039 8.827 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 3.675 -7.352 4.442 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 1.495 -8.475 4.081 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 1.990 -14.260 7.675 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 3.917 0.964 -0.572 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 10.508 -4.660 4.918 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 -4.236 11.905 1.973 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 2.319 0.943 -4.715 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 9.105 16.017 -10.387 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 16.356 0.187 -7.071 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -5.127 -2.646 -2.756 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -0.802 0.114 0.748 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -6.931 -16.245 0.105 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 0.872 3.291 5.950 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -10.450 -4.986 8.945 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 8.802 0.306 16.318 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 2.194 2.750 1.659 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 3.090 -8.303 4.805 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -16.398 13.999 25.966 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -1.781 -0.671 -0.704 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 8.867 -20.565 -7.866 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 -37.485 -3.443 1.321 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 6.028 -5.369 -1.327 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -10.967 5.144 29.458 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 11.904 37.755 3.513 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 -4.951 4.335 5.803 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 0.353 3.044 10.877 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -16.166 11.452 9.239 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -1.982 10.323 3.277 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -7.399 6.466 0.771 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -3.924 -10.538 3.701 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 2.921 -7.322 -1.889 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 17.792 0.428 4.876 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 0.295 -4.932 8.681 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -5.688 -0.600 7.205 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 29.031 -2.587 0.280 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 -10.902 14.714 -1.690 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 9.382 -9.469 1.535 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 11.654 -4.889 1.248 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 14.626 -2.183 -2.258 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 -0.072 -0.619 -2.774 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 5.093 28.399 -21.447 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 0.224 15.626 -18.271 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -0.148 0.568 1.438 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 -0.433 21.405 7.758 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -1.462 -14.606 5.935 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -5.619 3.216 -2.190 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -12.088 1.131 2.352 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -21.706 -3.386 4.464 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 -1.346 -1.890 2.301 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -7.957 -16.874 3.450 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -1.813 -10.579 -1.608 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 1.877 5.879 3.000 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 -4.725 -2.288 3.220 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 4.268 7.672 11.618 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 5.453 0.341 -5.741 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 1.894 2.047 -10.037 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 7.188 -5.786 5.998 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 0.518 5.397 -2.551 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -6.691 2.950 -16.083 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 -1.271 4.087 -9.376 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 5.756 -0.440 4.020 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -12.147 4.928 19.132 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -2.382 -4.772 7.309 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 -2.192 9.821 3.585 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -7.481 3.700 2.840 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 21.701 -4.159 -1.059 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -3.003 0.667 1.014 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 -17.139 -6.371 -6.087 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 9.669 3.860 9.293 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 5.625 -3.229 -3.201 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 6.511 0.360 2.708 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -9.203 3.861 -16.667 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -4.971 1.282 4.365 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -2.409 -2.131 5.889 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 1.211 -3.820 0.987 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -1.568 -6.406 -5.267 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 -18.705 -5.533 -9.320 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -2.503 9.029 -5.805 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 2.230 -2.796 -1.089 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 -12.101 12.111 -7.130 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 5.527 9.140 -8.645 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -4.232 -4.673 -4.158 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -18.016 5.183 -18.686 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 -16.318 -5.892 5.113 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 2.393 -3.307 -2.202 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 13.863 -1.120 26.774 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 -20.596 -10.273 -17.048 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 -1.006 2.661 -2.665 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -10.099 1.801 11.026 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 2.254 12.488 2.130 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 5.729 -3.152 -0.759 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -26.193 8.394 -16.136 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 20.602 -4.415 9.299 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 1.962 0.198 1.284 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 8.075 -19.827 -11.286 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 27.835 5.084 11.382 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 0.766 -2.500 -3.889 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 18.469 19.047 -15.913 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 3.802 0.526 -5.301 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 2.752 -4.492 3.147 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -10.727 -0.143 -6.359 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 10.523 -14.631 -8.084 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 2.347 0.225 1.831 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 -38.320 -13.503 -23.725 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 22.101 10.684 9.933 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 -0.026 -2.783 -6.313 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 -5.098 -5.766 -4.644 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 23.860 8.014 -16.081 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 2.003 6.201 -1.147 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 -7.236 -4.185 -4.153 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -4.349 13.740 6.768 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 1.682 -4.581 6.895 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 -1.074 -7.599 6.339 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 2.192 -5.588 6.709 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 6.859 6.404 1.933 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 0.566 22.204 9.173 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 3.143 5.815 32.863 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -0.742 0.542 -3.469 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 -9.178 2.382 4.413 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 12.137 -8.191 -3.345 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 5.757 -2.586 0.210 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 -6.715 14.835 -7.054 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 1.865 2.097 1.671 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 4.359 2.128 -3.668 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 9.266 8.105 -16.368 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 -13.429 5.440 3.017 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 1.909 -7.442 -3.139 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 5.230 1.330 -5.634 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 11.241 -1.268 7.478 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 0.526 1.005 1.006 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -5.805 9.998 26.720 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 21.623 22.370 -44.370 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 -3.117 -4.919 3.186 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -6.688 -2.113 -1.342 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 -6.186 2.572 -41.046 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 -0.400 6.748 1.585 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 5.713 3.606 25.260 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -1.221 -7.197 -3.427 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 4.273 2.217 -9.207 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 2.094 1.177 -18.007 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 13.115 7.755 -5.163 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 1.801 4.582 -1.100 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 2.147 7.651 -11.244 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 1.738 -0.211 -11.331 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 6.958 4.100 -0.520 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 21.196 18.023 7.993 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -8.833 -8.816 -2.475 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 8.097 5.364 -2.990 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 12.567 -6.331 6.031 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 19.694 17.389 -0.500 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -1.359 2.729 -2.928 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 17.068 -16.198 -11.689 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -1.706 23.639 -2.108 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -0.997 -4.072 -1.497 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 9.845 0.589 -17.744 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 5.061 -14.038 -8.874 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 -5.268 1.821 -1.799 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 -4.260 1.677 -0.207 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 -6.918 2.231 -11.790 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 7.852 -6.110 1.149 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 -0.764 -21.571 -13.940 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 3.763 -8.106 4.811 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 6.048 7.285 -4.485 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 4.148 -20.471 1.649 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 16.857 4.657 -3.227 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 5.116 5.075 4.004 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -0.829 10.319 8.609 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -9.915 14.378 10.743 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 -1.800 -0.908 -0.204 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -12.229 15.372 9.914 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 -7.736 23.014 25.015 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 0.392 7.653 2.035 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 -11.345 1.937 7.782 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 -4.846 15.907 -7.650 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 1.458 2.421 -0.653 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 9.980 -4.472 18.838 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 17.151 17.752 -8.629 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -2.919 -0.994 -5.340 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 18.703 -14.577 -6.105 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 24.611 3.871 -19.743 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 -6.807 4.449 0.802 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 21.862 1.766 -12.347 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 -9.549 -20.066 14.286 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 5.164 -0.330 6.136 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 5.521 -7.885 -8.451 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 -6.804 -6.579 9.782 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 0.882 -1.959 4.933 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 -7.316 -0.857 4.804 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -12.154 0.384 4.914 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 1.980 7.134 -1.724 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 4.508 7.456 1.493 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 -5.058 -36.606 22.449 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -1.203 0.098 -0.142 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -9.093 7.818 28.828 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 1.380 -3.775 -8.743 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 1.241 -5.463 0.176 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 4.635 -17.721 9.241 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 -20.722 9.736 12.291 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 -0.679 -8.088 -5.832 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 1.942 3.742 21.796 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 -5.762 -5.329 -0.409 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 6.893 5.035 0.753 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 21.804 -6.352 9.744 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 -3.149 8.899 -10.378 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 6.910 -1.917 2.712 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 0.371 10.463 8.637 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 13.734 8.725 -6.079 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 -0.461 0.833 -0.720 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 -6.365 9.353 9.793 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 -26.255 11.307 21.850 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 1.619 -1.402 3.269 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 0.232 11.397 -1.689 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 -11.452 16.305 -24.221 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 -2.239 -4.851 0.337 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -8.629 2.137 9.111 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 7.489 2.554 21.112 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -1.503 -1.743 -2.898 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 -6.791 8.089 13.985 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 1.312 -12.826 10.352 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -1.011 -5.214 -5.622 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 3.380 4.930 6.644 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 22.248 -16.061 -0.941 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 1.083 -2.509 -2.193 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 3.319 -7.477 -11.151 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -0.565 3.953 11.497 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -4.443 2.858 8.365 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -27.580 4.020 17.804 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -14.544 0.791 5.191 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 -7.642 1.288 0.683 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 -2.123 0.092 -0.812 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 9.963 -0.718 -5.142 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 1.209 -0.964 2.090 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 -5.083 13.643 -14.526 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 13.799 8.475 -7.751 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -0.558 4.596 -4.367 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 12.879 5.884 0.612 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -3.527 15.541 -7.088 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 1.372 -0.916 -2.688 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 23.172 14.686 8.025 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 3.295 -17.026 7.003 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 4.205 1.699 1.387 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 19.939 -3.448 12.939 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 10.219 -17.221 18.592 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -4.045 -3.524 6.284 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -11.911 8.534 -16.455 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 11.904 3.080 -10.596 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 -0.751 4.738 -0.803 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 -9.605 17.260 -3.687 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -14.800 5.886 -1.919 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 7.628 -5.882 -0.120 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 6.046 -10.121 -2.761 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 2.408 19.775 30.923 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -7.926 2.889 4.567 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -11.947 2.791 6.672 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 -14.173 10.455 9.106 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 -0.949 7.261 5.396 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -4.400 23.535 22.546 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 14.485 8.033 1.869 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 1.224 -0.190 -8.004 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 -10.805 -0.082 2.654 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 -0.479 -17.178 -2.569 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 1.716 -4.485 -4.502 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 -7.484 -8.125 -6.194 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 -13.248 0.855 -9.237 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -3.398 4.009 -0.673 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 -0.525 14.794 -8.566 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 -5.790 4.606 -0.423 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 4.755 5.955 -2.408 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 7.132 -11.014 -23.745 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 14.148 1.802 -12.884 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 0.045 -6.361 0.861 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 -2.671 -17.831 3.859 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 3.629 19.123 -2.579 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 3.741 -1.533 2.129 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 -28.405 16.669 12.900 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 -6.594 2.276 7.187 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 3.807 1.362 -9.317 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 5.060 -11.247 -12.745 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 -6.741 -0.588 -5.150 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 3.064 2.265 5.396 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 5.281 -2.282 -6.305 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -3.397 12.568 -3.556 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -3.198 10.117 -9.285 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 14.449 0.502 -13.295 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 -8.942 13.253 -8.462 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 -6.644 5.690 4.833 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -0.744 11.656 -4.097 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -11.793 14.364 11.153 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 2.269 -0.348 4.029 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 -26.353 -9.845 10.126 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 2.243 6.548 -25.930 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -9.647 3.749 2.264 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 16.657 -5.573 -17.104 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 12.933 -15.924 -5.026 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 3.838 -4.004 -5.375 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 2.145 5.051 -9.135 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -5.800 -8.836 -1.741 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 -7.884 0.185 -3.596 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 -1.630 12.131 3.224 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -5.144 -0.630 -2.804 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 2.743 -3.730 -7.649 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 2.006 0.741 -5.788 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 -2.711 -5.336 -4.951 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -1.735 1.426 -2.075 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 5.164 -6.690 16.927 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 15.058 35.893 -18.127 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 -6.418 -3.994 5.161 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 14.119 17.672 7.185 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 4.262 -1.648 5.363 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -7.088 3.071 -1.546 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 -14.037 2.605 3.767 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 2.918 -2.274 4.901 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 -1.244 -5.060 3.303 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 -6.064 -2.850 3.344 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 -21.753 -7.535 17.509 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 -3.071 0.809 -6.796 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -24.378 -6.060 -12.012 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -15.555 10.452 -7.159 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 2.037 -3.946 1.468 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 7.412 -3.426 20.240 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 -4.013 13.203 -3.399 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 -3.067 -1.136 -2.287 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 -0.572 -4.606 2.405 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -4.533 5.962 1.402 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 -2.071 -3.051 -4.332 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 4.382 10.696 -8.812 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 -8.426 0.503 -4.044 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -5.404 1.762 -2.737 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 1.026 4.855 -8.048 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 -6.888 5.306 -2.254 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -2.881 3.341 -2.758 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -14.817 1.645 -15.156 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -0.063 4.049 -4.221 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 -0.922 -1.814 8.163 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 4.407 -9.030 -18.147 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 7.839 -14.409 -1.277 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 -2.643 3.334 -0.417 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 15.842 -6.260 -7.908 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 1.624 1.643 -8.718 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 0.536 0.963 -0.737 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 -3.047 11.070 -8.145 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 5.491 -6.191 -2.043 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 3.937 -5.377 -3.225 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -2.059 -10.622 21.505 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 2.631 -6.829 3.824 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 0.103 -4.218 2.079 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -30.879 8.713 -37.902 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 7.915 -7.161 18.701 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 1.987 8.401 -1.788 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 -2.369 10.899 -24.266 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 5.828 -16.615 -2.531 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -6.617 4.601 -5.875 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 -2.851 -27.093 -9.127 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 21.867 8.954 -1.472 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 6.705 1.372 4.525 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 5.529 -13.984 14.293 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 2.949 6.208 20.224 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -7.185 -4.395 1.848 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 4.116 -6.008 2.167 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 4.773 7.501 10.191 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 7.002 1.834 0.831 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 8.067 -0.356 -9.458 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 7.449 -10.174 3.613 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 8.496 0.412 0.578 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 3.486 -8.857 -26.175 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -5.521 0.833 34.208 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 5.501 -2.396 3.191 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -0.322 11.218 -15.489 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 11.774 20.556 -2.851 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.697 2.386 -1.174 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 0.775 -9.919 -22.591 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 19.041 -9.958 11.012 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 2.021 5.284 -5.937 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 -0.500 12.597 -14.013 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 5.700 -6.782 -3.501 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 5.889 -1.939 10.158 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 -4.675 -17.137 17.043 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 16.436 -4.179 9.330 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 -7.261 0.292 4.523 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 -9.155 -12.053 8.464 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 0.565 -9.627 -7.512 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -1.979 4.046 6.540 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 1.373 2.524 9.941 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 -6.445 11.438 6.080 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 -4.253 0.439 -2.529 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 20.853 -12.512 -14.033 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 1.333 2.575 -12.364 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -4.230 -1.299 -4.175 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 -8.681 4.047 6.909 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 -0.802 -9.626 -3.983 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 0.215 5.995 6.010 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 -0.840 9.113 15.600 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 -1.762 12.423 -7.708 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 -2.007 -2.960 -5.140 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 10.332 7.931 -9.456 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 -10.162 -4.445 -3.503 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 0.630 7.294 -5.308 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 14.674 2.127 -10.647 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 -9.686 -2.011 -12.343 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 -5.665 5.222 -2.189 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 12.568 24.064 3.887 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 2.510 10.159 0.966 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 3.726 4.407 2.845 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 1.388 -1.549 11.900 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -4.630 -11.310 18.384 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 3.634 1.923 -1.200 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 -0.862 4.457 0.296 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 1.047 16.476 -10.366 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 -0.480 4.487 3.079 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 -8.618 -9.909 -12.028 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 16.674 -5.291 13.640 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 7.204 2.675 4.207 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 15.089 1.898 6.274 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 19.758 -5.129 13.671 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 8.656 3.594 3.947 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 6.042 -2.699 -1.150 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 8.905 -0.746 1.377 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -1.874 3.000 2.831 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 -5.454 0.410 -1.237 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 -9.050 -2.413 -7.499 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 -4.588 4.201 -3.082 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 5.853 20.870 -24.594 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 -15.866 19.633 18.534 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -6.056 5.159 2.291 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -15.956 0.496 -3.313 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 5.654 -15.412 -11.534 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 0.151 -0.910 4.693 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -13.649 15.304 -12.694 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -12.923 -24.360 3.452 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 5.860 -7.476 -4.063 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 6.234 -6.621 -0.586 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 3.885 -17.928 -12.870 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 2.333 0.337 -7.074 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 3.004 -17.333 10.811 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 4.191 -41.745 33.828 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 -2.583 -0.906 8.200 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 8.952 4.346 5.853 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 -4.526 -0.128 18.223 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 8.707 0.553 2.848 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 1.710 1.799 -3.433 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 23.425 12.914 9.481 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 3.979 3.549 -7.635 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 9.960 0.017 -18.516 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -1.372 20.396 0.137 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 -5.118 1.877 6.688 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 6.498 -2.336 6.339 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 2.797 -2.077 -20.751 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 5.237 9.919 -3.878 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 3.429 13.893 -2.391 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -11.505 25.099 4.587 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 -2.188 -5.487 0.302 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 -26.564 -7.375 33.498 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 26.954 17.859 10.435 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -3.772 -2.691 -0.036 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 -15.117 -8.574 8.579 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 -20.538 20.017 -6.182 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 1.234 -1.545 -1.156 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 3.617 -6.833 -3.803 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 10.126 -17.529 -7.461 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 -2.236 0.201 -0.050 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 -2.936 -2.927 6.821 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 4.017 5.410 0.775 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 -2.116 2.275 -10.809 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 1.263 -8.537 2.517 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 -16.070 -32.443 -0.138 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 1.710 3.648 -0.111 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 17.633 -20.941 4.228 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 -11.163 8.647 -4.070 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 2.372 3.752 -4.214 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 0.176 2.300 -2.331 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -1.329 0.662 -2.372 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 0.619 -5.284 -7.633 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 8.076 -4.865 -2.932 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 -13.010 21.712 -43.885 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 1.513 0.394 -3.612 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 0.676 -2.336 -3.887 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 2.224 -11.730 -8.904 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -4.901 1.404 -2.904 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -10.195 8.362 14.820 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -10.576 13.850 15.112 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 -2.676 -5.331 3.113 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -12.342 -16.186 -9.895 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 -15.439 -1.886 4.577 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -2.300 -3.561 4.993 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -3.973 -2.242 6.930 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 5.978 -11.550 -7.672 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 1.448 2.195 0.301 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -0.413 -17.172 28.384 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 4.590 -18.000 7.345 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 0.567 -3.353 -0.904 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 3.499 12.930 9.631 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 -2.508 4.042 -12.919 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -2.016 4.547 -4.710 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 4.424 -11.171 0.843 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 0.384 -4.898 -6.688 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 -2.957 6.261 -4.741 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 11.733 -12.611 -19.830 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -3.519 8.440 -3.903 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 6.449 -3.553 1.523 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 -1.808 10.425 -39.524 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 15.741 -20.114 36.057 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -0.761 -0.391 -4.829 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 -6.341 -27.937 -3.850 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -5.923 -14.848 -4.916 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 3.244 -4.879 -2.590 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 20.142 -8.384 1.499 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 -3.862 -1.033 -34.513 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 -0.046 0.073 -1.898 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 22.724 -6.483 -6.115 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 -4.160 8.042 16.220 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 -1.087 1.488 -4.142 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 4.311 -8.791 10.812 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 17.575 10.718 -2.471 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 5.897 -0.819 -0.705 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 -9.510 17.347 5.252 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -1.167 -1.454 -2.695 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 -5.624 2.584 7.829 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 -5.516 -0.459 -6.031 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 -1.094 -6.966 21.599 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 -3.667 6.844 0.917 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -7.316 2.372 1.785 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -16.081 -14.213 4.009 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 -1.440 1.749 -3.643 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 0.884 29.652 -18.097 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 6.033 -10.415 -23.296 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 0.763 -2.759 -2.847 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 1.656 -2.414 -10.748 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 9.383 2.508 -4.848 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 3.745 1.580 -0.349 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -1.373 1.180 3.037 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 1.966 6.960 -5.187 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 -2.120 0.539 2.031 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 -3.368 6.699 -5.848 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 -9.074 -2.309 3.950 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 3.223 8.247 3.482 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 4.186 25.749 -8.515 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 9.477 -6.430 -10.918 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 0.446 -3.225 1.260 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 4.317 -6.891 12.617 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 3.843 -19.242 -3.923 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -4.693 -0.450 0.055 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 -13.659 3.194 15.833 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 10.896 -11.744 3.066 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 2.618 -5.942 0.235 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 10.918 2.199 -2.873 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -8.991 3.905 0.382 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 -0.747 -2.066 2.177 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 17.281 -5.585 7.197 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 3.100 2.957 -2.430 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 -10.605 -4.910 -7.447 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 3.876 -11.967 -7.507 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 5.698 6.463 -4.256 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 1.603 -1.183 3.335 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 16.000 33.758 -11.123 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 4.383 14.228 7.674 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 1.485 2.739 -3.228 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 0.224 17.836 -10.524 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -17.061 -0.980 -1.497 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -0.389 -1.313 4.308 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 10.282 -0.774 -10.123 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 6.985 2.637 7.436 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 4.465 -11.105 -1.218 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -15.072 -24.403 18.740 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -9.350 12.875 -3.459 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 5.517 1.553 -6.397 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -7.346 32.321 -3.018 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 -29.800 0.577 -25.815 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -7.410 -0.600 0.015 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 -10.085 13.334 17.096 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 5.691 -11.684 9.734 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 -3.927 1.189 -0.276 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -5.815 25.945 -8.422 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 0.843 4.938 -12.521 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 5.477 -10.130 -1.964 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 -2.391 15.459 -15.852 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 -20.716 0.814 -28.560 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 6.671 7.142 2.883 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 -6.123 20.387 2.705 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -1.296 18.012 -0.697 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 -2.391 -4.804 2.973 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -18.114 -1.472 23.755 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 2.757 24.222 -5.808 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 -0.015 -4.015 -3.919 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 14.138 0.231 -7.163 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 4.361 -27.241 20.273 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 3.488 0.232 1.167 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -9.742 -5.323 -11.675 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 2.098 -8.060 -3.914 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 5.264 -2.599 4.513 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -0.387 -1.173 -10.734 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -7.809 -2.231 12.851 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -8.038 2.447 1.237 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -27.530 2.216 10.894 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 -12.132 -10.926 7.526 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 -5.691 -0.819 -8.778 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 -10.569 7.218 2.639 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 4.095 21.678 -29.011 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 -0.990 2.818 2.494 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 9.273 0.646 21.861 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -8.059 -0.306 -1.456 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 8.485 0.215 0.600 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 -13.526 3.038 19.867 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -3.191 15.229 -12.471 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -5.071 6.006 -0.076 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -5.618 10.698 -8.470 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 8.804 0.962 3.764 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -6.346 -5.567 8.306 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 -24.924 17.893 6.891 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -36.396 10.679 -10.034 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -4.107 -2.094 -3.225 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -16.281 0.601 -12.499 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -8.989 -7.343 4.950 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 2.740 3.830 3.704 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 3.585 -1.588 8.252 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 1.106 33.367 25.640 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 4.141 -1.994 3.898 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 9.112 -8.482 16.435 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 -14.490 7.252 18.958 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 5.346 2.775 -3.901 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 -18.075 -11.516 -13.984 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -1.265 -3.912 11.923 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -1.800 -8.124 1.163 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 6.598 -0.979 -2.099 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 1.597 -2.428 -2.149 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 2.204 -4.068 0.660 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -4.797 1.028 -7.209 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 -2.010 -3.947 -9.244 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 2.040 1.623 2.927 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 9.902 11.469 -25.211 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 15.428 3.962 11.794 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 0.645 -1.222 11.975 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -20.236 6.105 7.521 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -1.549 -1.471 -10.017 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 5.236 -0.187 -1.267 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 8.151 -14.952 27.477 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 28.594 17.900 0.372 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -2.697 -2.366 3.839 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 9.977 1.216 0.353 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 -7.407 -9.528 12.428 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 2.505 -6.556 -6.767 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 -10.487 12.137 -4.084 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 -16.184 6.518 -46.973 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 1.639 3.471 4.494 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 15.477 -9.725 6.534 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 -6.257 -5.455 -3.125 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 5.410 3.574 6.163 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 17.721 -18.140 14.691 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -7.138 25.777 -6.461 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 2.316 3.215 -1.333 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 29.718 0.639 12.068 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 -12.436 24.696 15.243 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 2.740 1.300 -3.017 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 -10.114 1.691 20.479 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 -7.234 -8.876 -4.580 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 3.474 2.886 -8.896 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -1.301 0.942 4.256 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 -8.329 2.660 -15.440 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 6.195 0.881 -2.440 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 13.247 2.978 4.980 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 -2.797 -8.309 3.838 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 -8.996 1.848 0.504 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 -27.199 -16.533 -8.226 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -9.851 -37.393 0.234 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 2.073 -4.259 -0.289 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -0.465 -0.207 -0.177 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 1.836 -0.826 0.901 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -0.625 0.511 1.876 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 17.996 -11.848 -21.029 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -5.284 14.335 4.306 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 10.199 -2.366 -0.925 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 18.474 -9.962 -7.045 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 5.059 2.145 -10.730 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 2.363 0.987 2.771 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 8.548 -3.111 -9.111 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 -4.032 -18.089 6.567 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -6.247 0.402 -0.521 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 -14.628 -1.789 -22.840 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 9.524 -18.779 2.792 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 4.069 -2.432 0.608 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 8.422 -3.919 9.552 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 27.224 -7.546 4.555 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 -3.268 6.595 0.625 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -14.317 -3.521 20.553 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 -5.984 6.968 -13.476 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 1.051 -4.463 -1.325 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 -14.695 -16.695 -21.488 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 0.383 -10.874 -10.166 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 0.078 -5.806 1.905 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 -2.276 -4.205 18.582 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -23.158 0.894 24.006 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -6.306 1.829 3.893 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -21.760 -7.631 -8.888 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 -8.289 26.747 -10.435 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 9.202 1.815 0.040 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 7.219 -1.152 6.622 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 6.750 4.522 -3.420 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 4.917 8.168 0.802 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 -14.349 11.719 -1.563 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 22.131 -3.659 7.149 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 -5.846 -1.319 -0.184 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 -4.214 -16.162 3.450 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -15.624 -0.226 8.069 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -3.324 5.349 -2.603 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 5.700 -9.534 8.019 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 -23.253 6.295 4.490 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -0.956 1.587 -7.546 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 11.052 5.595 -24.523 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 10.431 11.442 -25.996 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -1.906 -4.178 6.438 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 5.494 -10.367 4.265 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -10.679 -5.484 7.860 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -7.193 10.654 -2.420 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 -6.307 -11.687 -8.954 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -12.952 8.671 11.294 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 0.060 -5.766 -4.652 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 13.343 -4.796 -6.725 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 -7.362 2.757 0.345 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 -0.937 3.226 8.833 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -10.196 4.116 12.297 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 -17.077 2.798 12.243 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 -0.895 -0.601 0.907 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 6.276 19.582 -1.362 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 6.272 25.884 -2.557 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 -1.871 3.724 -6.842 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 0.096 0.467 -4.387 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -2.789 -4.002 -6.690 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 -0.567 1.344 -5.261 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 -17.354 -10.563 3.691 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 -0.695 3.183 -5.883 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -0.960 -7.732 2.055 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 8.861 -0.434 -10.232 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 -2.266 -6.181 9.762 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 4.069 1.858 4.193 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -0.016 -6.402 6.649 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -2.915 6.080 4.490 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -2.838 -6.010 1.279 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -34.019 7.212 3.719 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 14.859 17.315 -18.897 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 5.420 -1.528 -1.761 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 46.780 -17.637 -16.824 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 6.931 11.269 12.446 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -2.407 2.574 -8.305 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -8.158 -2.639 -2.100 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 -12.129 -4.558 -8.040 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -0.211 -6.136 2.618 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 6.660 0.911 14.775 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 -6.537 -14.513 14.805 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 -2.446 1.611 -4.824 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 11.507 -4.286 4.275 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 -9.619 -14.582 -4.822 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 0.166 5.318 -0.057 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 -12.586 5.521 5.038 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -1.431 -38.683 16.445 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 2.309 -4.647 -0.781 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 -3.568 -5.989 -1.711 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -5.485 2.143 -5.213 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 0.198 8.881 11.286 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -1.769 8.641 9.020 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 8.012 6.203 28.296 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 0.336 -3.974 -4.292 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 18.297 -2.565 14.579 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 3.870 5.285 -33.209 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -5.494 -0.118 -4.285 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -4.798 5.210 -7.272 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 -9.874 -15.618 1.093 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 2.033 0.174 1.776 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -2.137 -0.855 -7.528 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 2.760 -8.344 5.465 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 3.139 -0.132 -1.156 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 9.642 1.263 -5.295 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 -5.821 5.299 -11.256 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 4.399 4.908 4.579 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -5.913 -19.548 8.994 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 -11.002 -5.772 -6.830 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -1.856 1.140 0.110 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 1.040 -5.082 4.111 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -4.915 -13.547 3.873 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 -0.490 4.403 2.798 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 -16.997 -5.334 4.442 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -21.036 15.847 -4.212 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 -1.142 2.145 -3.500 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 14.470 -11.428 12.886 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 0.657 28.736 5.069 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -6.561 2.754 6.866 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -8.478 8.081 -3.216 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -13.950 3.574 8.110 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 -3.892 0.794 0.458 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 4.867 10.426 -5.050 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -6.384 -3.763 -1.910 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -1.432 -0.993 -5.222 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 0.768 -5.566 -20.782 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 -26.154 -9.478 14.860 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -6.230 -2.385 -0.423 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 4.321 10.935 5.974 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -5.613 -18.580 3.665 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 2.398 2.290 -2.654 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 27.771 -2.514 -14.790 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 8.892 -23.586 -14.691 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 -1.937 8.336 -2.048 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 -4.961 7.406 -26.275 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 -7.181 -20.173 -0.554 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 4.523 6.464 0.405 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -8.124 1.197 9.841 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -0.314 13.105 -12.102 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 0.882 -7.302 -3.025 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 -13.542 -7.311 -29.417 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -19.269 -11.650 0.794 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -0.542 3.110 6.809 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 -2.583 14.540 4.025 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 9.239 8.749 6.309 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 4.730 -2.959 -3.176 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -1.916 0.965 -3.636 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -2.439 -1.883 -7.422 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 3.720 2.227 -0.382 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 2.682 0.817 -0.509 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 0.614 -4.232 -4.274 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 0.613 -1.404 3.334 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 -25.306 -8.965 -20.322 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 2.419 -1.970 4.824 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -1.574 2.067 2.184 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 0.014 -1.228 0.609 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 7.444 -15.547 -6.395 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 -3.578 0.269 2.547 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 6.764 4.480 12.821 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 -6.547 11.319 -0.767 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -1.940 -5.752 3.874 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 11.876 -1.716 -3.855 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 1.259 -1.528 19.697 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 2.302 -6.517 2.873 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -15.695 17.025 13.527 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 5.665 2.192 -16.773 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 1.567 6.383 1.096 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 1.250 -10.835 7.267 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 10.173 -4.191 15.893 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 -1.283 -10.831 -0.409 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 7.796 -1.604 3.837 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 -21.242 -5.760 0.859 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 6.011 -0.747 -10.444 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -1.451 -6.794 -6.099 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -9.465 4.607 -14.405 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 3.584 -3.921 -0.759 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 0.715 -2.570 9.483 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 11.681 -15.680 5.859 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 -1.379 3.568 -0.576 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 7.746 9.231 7.827 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 13.428 -0.990 -9.924 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -5.216 2.944 -4.475 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -9.195 -0.148 2.881 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 -18.420 10.310 -13.685 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -3.474 -2.383 -0.160 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 -1.883 10.681 7.750 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 11.885 -9.195 -7.657 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 7.629 -1.903 5.391 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 1.315 3.428 18.557 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 7.848 -3.195 -10.647 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 4.364 -5.671 -3.588 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 -8.211 -11.602 -6.026 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 7.992 -0.972 13.866 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 3.110 3.557 3.782 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 8.585 7.204 -2.111 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 -10.516 -8.359 23.266 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 3.592 4.367 4.182 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 -14.750 10.004 -1.202 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 6.954 -10.716 -8.685 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 4.559 -4.095 -7.177 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -0.265 -4.909 -2.754 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -15.970 -8.798 8.421 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 0.740 -0.180 -2.539 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 3.660 7.418 -6.687 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -15.218 -8.984 36.221 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 7.313 7.322 0.856 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -6.591 10.944 -2.554 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 9.989 -5.886 -6.646 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 -1.756 -5.016 -2.928 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -3.548 -7.599 6.343 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 10.455 -9.815 -18.404 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 1.453 4.326 -3.669 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 5.390 12.621 -1.932 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 2.104 16.502 2.193 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 -1.959 -6.637 -0.861 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -18.938 -9.471 -11.069 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 -3.572 -3.634 -15.153 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 6.891 -10.254 -2.878 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 21.160 -15.642 -2.878 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 7.209 4.155 0.860 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 2.544 7.652 0.753 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -0.728 9.195 3.501 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 5.265 7.089 4.445 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 0.263 -3.526 -4.313 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 -12.395 8.920 -5.052 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 5.274 -3.776 -1.958 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 -5.645 -1.759 -6.694 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 8.634 5.031 12.134 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 3.468 -18.514 -15.035 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 6.056 -7.646 0.334 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 6.549 -9.610 -11.762 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 5.444 -2.743 2.586 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 -0.604 -4.397 0.780 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -1.310 0.870 2.182 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -2.445 -7.897 5.714 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 -9.919 3.576 -5.120 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 10.781 10.339 -3.800 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -1.026 -1.027 -15.621 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -7.185 -0.353 -7.706 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -28.016 12.757 -5.189 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 -1.014 17.523 17.984 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 -0.870 1.562 -4.677 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -2.794 -2.300 0.275 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -18.022 -2.489 7.505 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -3.918 3.701 3.704 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -7.637 -11.295 7.987 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -13.470 14.273 -13.154 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 8.259 6.695 1.986 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 -7.535 8.011 -2.818 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 -13.797 8.677 -3.853 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 0.489 4.675 4.056 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 8.783 -40.064 24.548 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 1.103 -5.499 -26.300 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -0.753 -0.473 6.028 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 4.667 -0.218 3.761 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 -6.950 -6.056 6.344 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 5.347 4.139 9.121 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -18.555 -1.197 -3.228 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 -4.791 -10.858 -4.540 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 5.351 -0.353 -0.158 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 4.127 -3.300 12.663 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 8.969 -0.563 -10.026 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 -3.141 1.525 1.711 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -3.519 10.900 10.141 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 1.264 2.491 8.148 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 9.994 -1.291 -0.178 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 0.697 -11.174 -2.296 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 9.093 0.353 14.881 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 5.567 -5.389 -6.796 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -22.048 -7.403 -3.300 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -18.700 -9.224 -14.942 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 -0.706 -3.203 -2.288 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 -3.257 8.828 -20.197 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 17.281 -15.721 1.791 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 6.131 0.318 3.253 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 10.152 -4.755 -13.655 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -3.611 -18.530 -2.260 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -0.902 0.228 1.534 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 5.608 -11.995 -2.299 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -2.623 7.144 5.705 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -0.333 -1.453 4.637 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 -2.171 -4.032 3.267 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 16.480 -0.183 -13.411 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 3.388 -7.339 3.703 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 2.766 -4.179 -1.027 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -1.742 -0.406 6.313 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 1.035 1.278 4.226 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -6.567 2.497 -1.162 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 19.957 0.763 9.860 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 -1.193 -1.353 -3.494 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 6.346 1.397 6.354 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 8.144 -4.861 -12.481 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 4.131 -1.408 -0.237 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 -8.892 -9.719 -9.161 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -1.573 7.666 -0.995 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 -4.543 -1.860 2.236 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -28.038 -1.539 -24.592 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 -3.833 3.391 20.375 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 -1.145 2.861 -3.097 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -0.931 0.148 13.886 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 4.915 2.941 -11.945 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -1.710 -2.536 1.171 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -0.225 -18.008 -15.441 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -23.944 -7.032 2.962 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 -5.186 -2.352 4.071 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -13.607 5.593 -2.113 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 10.596 9.682 0.205 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -1.127 0.579 5.819 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 2.550 -1.147 3.654 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 -15.394 9.427 13.530 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 9.470 -2.595 1.140 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -4.283 8.041 27.720 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 -0.906 -9.433 -15.314 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 4.953 -0.505 -4.529 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -7.607 -1.262 0.736 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 5.953 -2.605 -17.625 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 -6.610 -5.884 -2.326 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -9.237 -6.742 7.322 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -6.495 -6.994 2.932 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 7.294 -1.325 0.166 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 8.189 -7.838 -3.985 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -1.188 -15.242 0.649 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 -1.575 -1.301 -9.050 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 -17.739 -1.473 -21.206 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 13.787 -5.570 -21.142 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 -3.359 -0.652 -3.323 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 -4.778 -1.062 6.905 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 2.117 -8.109 -14.634 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 0.104 0.687 3.792 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -10.016 17.131 3.122 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 5.899 1.187 2.621 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -0.560 1.986 -2.499 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 -4.447 18.116 -25.983 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -29.666 7.077 -4.523 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 -0.452 2.400 1.746 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 7.129 11.047 -11.202 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 0.649 4.274 -4.416 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 -1.605 -2.190 2.395 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 0.197 1.426 3.942 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -5.952 -11.953 4.053 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -0.188 -1.295 2.060 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 6.210 2.954 -3.321 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 8.126 -7.420 22.384 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 0.515 2.347 0.602 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 1.959 -10.911 17.030 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -15.542 17.252 2.485 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -2.686 3.936 -3.507 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 -11.478 13.498 -2.791 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -6.899 6.711 1.253 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 0.584 -4.458 1.648 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 -9.215 -10.566 16.691 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -14.489 -11.785 26.053 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 -4.731 4.435 -0.266 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 15.390 3.190 -5.999 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 2.921 6.983 2.204 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 8.405 7.078 -3.279 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 15.334 16.335 -8.738 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 4.612 -0.787 -6.852 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 -1.851 0.534 8.709 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -12.016 16.978 3.890 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.178 -3.772 0.056 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -2.121 2.089 1.057 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 13.836 -2.156 21.542 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 0.801 -5.939 3.183 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -3.623 2.896 -0.115 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 -3.508 -4.437 -3.433 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 -6.528 -6.754 6.957 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 2.467 1.076 0.717 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 11.517 5.515 -4.317 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 0.821 -7.921 -1.984 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -3.808 1.623 0.167 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 -5.569 -6.758 -0.003 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -4.673 4.711 -11.893 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -1.721 11.826 -3.950 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -3.832 2.551 -25.817 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 36.155 -9.186 -14.629 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 3.026 2.670 2.395 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 -8.741 -4.954 -4.904 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 10.329 -12.034 11.970 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 2.312 5.475 -3.078 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 8.199 8.947 -4.929 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -0.697 18.472 -6.353 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 10.298 4.044 -3.170 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 10.279 15.408 -25.556 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 -9.408 -23.176 -4.054 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -1.066 -5.650 1.135 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 11.128 -0.268 3.279 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 -2.068 3.568 -1.088 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 -4.598 -2.390 6.907 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -3.414 -7.015 5.165 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 -19.752 -1.471 11.199 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 -3.066 -5.953 -0.545 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -3.489 11.973 1.680 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -28.134 -10.553 -8.888 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 5.326 2.816 -1.664 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 3.927 -4.344 -6.717 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 12.466 9.554 -3.485 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 -4.535 -0.818 0.542 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -15.021 -15.241 5.731 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 -5.581 6.176 0.817 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 5.045 -7.056 9.778 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 -0.962 -10.382 9.688 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 2.571 -4.770 12.790 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 0.101 -1.423 -0.600 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -4.246 3.462 -13.191 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 2.676 -14.094 10.906 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -6.607 -5.426 -2.147 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 -15.094 4.423 -2.721 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -7.406 -10.625 1.565 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 -1.003 4.950 4.760 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 -10.625 15.804 0.025 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 12.728 3.566 -4.404 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 -7.366 -2.323 -0.486 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 9.935 -3.608 6.171 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 -35.496 -0.097 -6.830 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 0.921 -6.911 2.710 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 2.885 -5.406 0.632 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 -1.320 -7.738 -0.160 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -10.289 -7.175 2.280 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 2.655 -3.349 8.682 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 2.687 9.723 16.420 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 -5.146 0.152 -8.609 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -3.036 -8.052 -8.202 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 -5.567 -9.032 -6.364 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 1.751 -0.871 0.289 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 -4.712 -3.385 6.460 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 14.992 -0.857 -10.793 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 -1.009 4.080 0.899 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 2.234 12.248 4.878 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 -2.920 6.974 -3.303 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 -4.555 1.647 3.217 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 22.056 10.218 -5.485 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 5.818 4.445 12.444 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 6.561 -2.047 -0.879 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 6.924 -23.587 -0.312 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 -0.066 10.023 -12.613 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 1.001 -8.453 2.707 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 13.380 -21.722 7.667 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -12.268 -10.482 13.472 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -5.457 -3.833 1.183 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 -1.480 -13.968 -3.107 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 -9.678 -5.292 12.196 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 0.436 -5.736 -1.117 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 11.787 -12.574 7.198 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 15.780 21.498 -20.430 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 3.772 -0.143 -6.194 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 9.727 3.253 11.626 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 -24.284 15.843 -25.250 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 5.277 4.526 5.339 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 26.070 5.735 10.587 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 -17.009 25.870 17.498 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 -2.078 3.381 -7.199 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 -7.901 0.013 -12.528 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 -7.002 40.942 3.792 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 4.793 -1.665 -3.092 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 15.204 25.036 -14.447 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 -7.971 -13.413 -2.314 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 5.985 1.108 1.006 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 5.361 -1.396 -2.518 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 10.151 3.504 -0.501 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 4.167 -0.318 -2.012 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 8.642 18.573 3.366 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 0.351 -3.738 -17.870 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 -1.218 -5.003 -4.256 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -13.631 -1.410 7.524 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -8.939 -2.038 -26.805 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -5.467 1.402 -5.576 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 -11.678 -5.515 7.009 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 9.003 -5.313 -13.942 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -5.361 0.957 8.102 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -23.197 -2.025 8.389 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 7.960 1.152 8.308 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 0.711 0.367 -2.592 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -0.953 -2.581 12.485 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 -11.344 -4.207 -8.306 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 -0.816 0.217 -0.132 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -7.279 0.113 10.569 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -9.228 -6.268 -9.778 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 1.774 -3.818 1.339 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 7.756 -25.689 11.685 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 2.757 -6.795 3.260 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 5.431 -4.229 -0.230 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -3.943 -5.014 1.681 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -0.736 -3.670 1.614 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 4.071 4.138 -1.226 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 1.971 -1.031 -11.507 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 21.860 27.483 4.810 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 4.593 3.821 -1.054 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 5.464 21.768 -10.225 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -16.688 -7.642 2.698 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 -2.536 -5.060 -3.360 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 -13.985 -1.836 -16.631 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 6.637 -6.996 5.088 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 -4.110 -4.581 -3.679 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -9.947 -0.704 -3.443 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -4.646 -1.783 -0.009 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 0.319 2.268 -1.051 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 3.964 -7.921 -7.149 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -10.275 7.779 -6.400 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 1.728 5.674 5.275 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 23.668 -14.041 1.441 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 6.532 15.677 -19.529 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 2.710 1.670 5.109 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -26.201 -7.418 -24.211 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 6.923 7.225 6.173 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 1.169 -3.240 4.330 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -15.440 8.095 1.501 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -4.195 18.635 -13.045 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 -6.957 6.784 0.710 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 4.178 33.912 25.320 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -2.053 -27.091 -12.712 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 3.017 0.810 -2.295 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 3.020 8.029 -1.779 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 1.989 -12.994 -2.082 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 -3.338 -6.389 -7.710 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -10.253 -13.077 -3.213 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 -2.038 -10.209 -17.396 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 -2.061 -5.600 -1.877 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -4.396 6.669 4.485 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 12.011 -14.206 2.193 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 5.609 -4.265 2.497 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -3.060 5.186 11.847 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 1.215 10.392 -14.446 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 3.879 2.016 -3.388 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 -0.247 2.694 -2.721 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 34.989 -7.745 -27.096 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -8.715 0.523 5.006 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 12.555 6.664 -8.998 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -3.342 -8.506 -2.516 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 2.840 0.492 -8.130 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 24.748 1.137 -8.306 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -28.739 -1.731 -15.902 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 0.080 2.809 0.290 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 8.010 12.378 -19.713 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -15.725 -4.737 5.873 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 0.702 -3.191 -3.113 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 1.700 0.267 17.134 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -12.932 4.343 -3.867 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 3.012 3.954 4.869 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 1.537 13.648 4.514 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 8.952 4.741 -9.332 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -0.836 -5.167 -2.779 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 -12.141 -5.171 -8.684 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -9.715 -24.840 -2.762 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 2.111 -0.645 -0.708 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 8.801 -8.149 -0.539 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 13.599 3.286 -1.681 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -6.860 -0.319 -0.227 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -15.228 -21.657 -11.872 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -23.189 -5.958 -5.541 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -9.512 -1.653 -4.183 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -16.214 -7.235 -10.084 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 -15.337 -0.266 2.088 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 -4.839 2.330 -3.277 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 1.298 -7.557 7.327 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -3.563 2.779 0.324 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 -0.572 -9.539 5.246 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 -12.433 -8.944 9.461 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -2.704 -7.693 11.372 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 -4.475 -1.385 -0.763 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 1.033 1.171 3.022 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -23.664 6.750 6.067 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 -1.046 -5.417 0.131 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 9.254 15.642 -2.200 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 15.308 12.560 -3.264 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -0.156 -3.948 1.174 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 1.599 -14.025 6.993 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -3.499 1.941 -3.721 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 6.046 -3.705 -8.909 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 10.952 -3.642 -11.445 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 11.434 -7.886 -0.446 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 1.363 1.811 -3.233 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 7.635 0.372 -5.737 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -1.853 4.158 4.550 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 1.430 -1.470 -2.159 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -6.665 -3.845 22.722 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 16.854 -21.446 -8.399 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 4.102 4.063 2.799 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 2.407 -10.659 -10.796 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 -3.571 -18.781 29.603 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 1.840 4.152 -1.673 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 -3.525 -29.499 -4.283 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 13.543 -4.145 -7.437 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 -2.521 -6.630 0.605 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 -3.704 29.741 11.146 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 38.776 -14.247 -3.765 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 6.455 1.140 3.717 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 6.484 -7.154 3.242 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -0.016 0.886 -4.355 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -0.975 5.234 -0.453 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -12.963 13.291 14.124 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -6.740 -26.324 -15.118 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 1.736 9.627 2.699 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 8.725 13.416 1.440 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -2.219 1.935 5.857 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -1.803 -1.507 0.735 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -1.544 -10.769 -22.781 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -9.936 -8.332 -0.662 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 3.012 0.315 -3.128 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 4.674 -6.848 -7.531 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 9.053 -12.769 5.895 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 5.776 -2.420 4.250 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 4.641 -17.160 3.415 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 3.796 -3.081 3.673 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 3.348 -0.532 4.952 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 0.099 3.333 4.221 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 4.301 6.467 5.454 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 -2.855 2.357 3.157 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 -6.689 -3.174 2.300 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -11.331 -20.438 3.090 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -3.607 -1.087 -0.887 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 -13.067 6.681 3.983 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -8.097 18.152 7.496 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 -3.570 1.965 -0.505 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 15.802 -8.730 -0.457 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 -18.667 5.655 2.916 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 -4.472 2.659 4.170 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 4.194 8.773 18.404 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 5.072 9.476 -9.107 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -4.931 0.640 1.024 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 -5.084 -10.578 -9.824 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -18.833 9.167 3.268 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 -1.873 -2.242 -6.510 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 -11.261 11.849 1.781 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 7.459 -19.443 3.749 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 8.931 -1.285 -1.674 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 5.649 0.933 -6.242 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 14.487 -4.146 10.018 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -1.902 5.674 1.540 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -21.215 5.436 -8.364 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 7.461 -10.100 -7.377 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 -1.018 4.594 0.242 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 10.186 26.886 3.470 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 3.241 -6.510 -6.558 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 5.823 -5.104 -0.589 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 2.866 1.402 -5.135 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 8.032 -5.412 0.196 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 2.900 -4.095 -1.021 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 5.329 2.066 -3.232 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 -18.827 -12.409 5.796 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 3.457 -1.105 3.538 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -7.274 11.234 2.922 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 12.504 -6.469 13.090 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 -1.948 7.259 -2.059 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 -2.700 -22.972 -7.545 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -13.081 16.049 -19.787 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 -1.092 -7.340 -0.964 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -8.000 -24.577 -17.466 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -2.715 1.894 -9.401 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 -2.983 -3.424 -2.847 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -0.027 -8.049 -0.299 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -3.032 -6.064 -4.901 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 3.347 -1.955 0.779 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 6.460 -3.154 0.364 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 9.499 0.076 0.911 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -3.322 -3.409 4.294 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 10.855 -5.271 -9.877 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 9.210 0.616 0.028 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 -3.877 2.753 3.480 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 -25.668 -7.749 6.790 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 5.178 2.728 -2.506 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 3.402 4.859 0.142 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 10.507 3.656 1.176 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 14.139 -8.454 2.460 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 1.595 -1.128 2.633 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 2.802 -2.053 13.294 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 1.624 -14.898 13.670 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 0.898 -1.329 -4.307 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 8.826 9.726 -21.552 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 4.304 -10.056 1.400 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 0.179 3.746 -0.096 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 19.851 12.955 7.302 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -20.815 23.872 5.946 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 -0.866 4.252 3.371 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 7.167 0.625 -5.292 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 9.218 9.702 -12.174 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 -1.435 0.460 -4.985 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -23.609 19.997 -1.411 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 -12.723 10.725 -2.348 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 3.823 -2.142 -0.058 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 1.315 15.414 -8.420 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 13.544 -16.454 -5.884 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 8.933 -0.697 -3.856 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 2.730 -5.298 -4.528 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 8.718 1.006 4.519 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -6.123 -0.432 -0.252 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -13.902 14.176 4.772 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -2.917 -18.322 6.998 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -0.144 1.959 -1.724 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 -9.760 2.162 2.293 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 24.853 1.455 -11.558 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 1.333 6.356 -1.520 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 7.230 21.243 2.628 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 14.136 15.836 -3.672 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 2.599 -5.671 5.900 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 -0.617 -13.829 1.272 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -3.412 8.653 -1.635 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -4.526 3.312 -6.815 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -9.834 1.810 -1.738 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 14.133 -0.089 -11.934 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 6.328 -1.696 -4.728 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 11.430 -5.543 -3.302 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 1.501 -4.992 -1.150 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -1.287 2.661 5.377 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 19.621 11.561 7.252 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -15.495 3.933 0.662 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 -1.073 0.159 -3.244 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 -0.200 -16.413 -4.196 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 13.050 11.750 7.656 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 -0.348 -0.089 5.354 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 -2.381 -16.313 10.144 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 0.558 13.028 -3.691 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 2.583 5.657 -4.788 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 10.620 5.613 -0.272 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -16.671 -8.373 -6.033 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 2.178 -7.450 1.434 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 6.541 -13.994 -7.450 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 -1.998 -8.943 -2.936 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 -0.231 3.959 -1.378 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -0.500 4.145 0.154 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -27.452 -24.530 12.189 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 0.223 -6.016 -3.285 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 0.482 1.911 -6.960 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 5.087 -6.006 -2.316 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 2.534 -2.329 -3.507 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 -6.848 -13.378 -0.281 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 -10.289 -7.211 2.123 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 3.008 3.762 3.384 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -1.370 1.453 16.120 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 3.696 1.607 7.291 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 -0.317 1.922 1.674 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 13.420 17.950 -4.521 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 0.626 22.140 13.506 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 1.957 0.378 -1.151 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -3.315 -21.436 -1.480 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 6.503 2.625 -20.563 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -7.141 -2.037 6.461 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 2.504 17.277 3.881 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 28.045 -20.109 23.639 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -3.423 2.549 -0.949 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 -0.402 3.684 15.538 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -3.130 2.256 -1.280 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -7.926 0.852 -2.577 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 -4.148 12.065 37.061 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 10.920 -4.405 0.456 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 -1.405 2.299 -2.829 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 17.685 9.296 -5.529 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 18.837 22.458 -7.922 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 2.476 -0.903 0.938 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 16.886 -0.142 23.254 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 -3.124 -1.454 -4.894 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -0.574 -4.592 0.443 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -7.691 15.965 -35.038 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -1.137 0.343 7.534 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 3.420 -6.478 8.072 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 16.031 6.795 -10.807 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 4.373 -7.220 -0.753 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 1.374 12.518 0.235 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 15.773 -8.853 0.616 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 1.313 -1.136 -6.371 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 -2.125 -1.429 -1.896 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 -3.686 -2.389 -6.595 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -5.424 2.718 -3.504 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 0.211 4.586 0.078 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 4.219 20.292 15.308 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 7.580 9.569 13.593 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 -1.572 3.561 -2.070 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 15.325 0.567 -4.505 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 -21.166 -9.690 14.112 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 0.389 -1.512 0.370 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -3.466 12.426 -1.810 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 -10.874 7.307 6.434 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 4.739 3.922 -3.029 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 -3.805 6.015 4.966 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 7.028 -15.649 -1.709 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 9.261 0.954 3.111 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 8.971 4.964 -1.480 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 7.811 2.952 6.423 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 3.503 0.872 -3.246 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -10.606 0.316 1.293 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 2.212 12.746 2.984 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 2.154 -0.753 1.919 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 -18.382 -3.903 3.918 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 13.199 -21.241 -5.551 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 9.933 -6.018 2.266 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 7.097 -0.465 -5.650 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 5.228 -13.842 1.278 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -0.548 -1.998 -0.909 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 20.798 -12.382 -9.366 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -12.548 -22.903 1.174 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -4.776 -0.243 -3.359 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 8.758 -8.377 -5.644 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 14.169 -0.551 -8.678 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 -1.373 -2.105 -1.148 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 -0.285 1.196 -4.540 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 4.819 10.342 -2.846 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 -5.707 5.130 -3.982 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 -2.599 7.761 -5.413 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 37.192 -5.061 -15.519 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 2.850 -0.431 -0.130 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -0.125 6.346 5.273 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -0.860 -14.564 10.181 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 4.836 -1.464 2.070 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 4.162 2.692 -6.875 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 7.941 -6.363 -24.205 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 1.694 2.048 -3.625 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 2.067 4.480 -2.394 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 12.874 -1.771 0.927 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 -2.357 -5.840 3.590 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 7.241 -6.076 6.432 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 1.480 1.692 22.489 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -8.280 -4.728 -2.318 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 0.305 2.310 -9.742 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -5.078 -14.458 -4.269 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 0.242 1.454 -0.442 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -7.636 14.138 -7.933 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 1.287 -2.708 -5.276 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -0.700 -0.007 -9.727 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 -17.185 5.163 -5.418 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 0.876 -19.996 15.658 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 -2.344 -2.105 -0.773 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 2.907 1.500 -8.075 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 2.132 0.662 -5.812 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -1.028 -5.115 1.436 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 15.182 -16.035 9.032 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 -6.219 -8.922 10.698 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -3.293 0.235 -1.336 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -15.002 4.423 14.786 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 6.727 -10.735 -12.637 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 -5.775 -5.266 3.396 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -5.331 -4.423 2.734 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 7.551 -4.347 -2.882 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 1.006 -0.184 1.245 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 9.471 6.828 -7.661 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -10.649 3.479 -1.563 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 3.813 -0.883 1.603 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 -2.977 4.075 3.961 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 4.145 -0.177 3.328 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 -5.386 -0.945 -2.113 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -4.661 -0.037 -3.046 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 9.033 -26.306 6.615 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 1.500 8.771 5.307 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 -6.407 26.441 -0.934 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -5.189 13.141 3.312 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 2.621 1.712 -7.898 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -16.954 -25.790 -15.038 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -9.993 26.415 24.025 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 2.909 2.113 2.179 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 1.084 1.529 -0.351 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 0.286 3.948 10.710 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 0.271 -4.705 -5.714 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 3.473 -4.674 -11.258 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 -9.574 -0.821 9.190 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -0.423 2.211 -1.053 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 13.178 -12.723 -1.376 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 11.045 5.579 -6.795 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 2.483 0.298 -4.898 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 15.039 16.975 0.719 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -16.630 -18.929 -14.555 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 -0.478 -0.908 0.232 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 0.259 -12.774 2.032 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 5.915 6.935 -12.700 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 9.594 -6.548 6.088 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -4.752 -10.031 15.397 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 12.311 0.422 16.223 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 -1.304 -3.863 -1.683 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 1.861 3.837 7.787 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 -15.082 -26.090 12.767 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 1.207 -6.658 -1.980 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 10.815 -8.807 -13.244 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 11.049 -20.208 -1.825 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 4.720 -1.635 4.585 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 2.574 -15.676 -8.645 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 17.970 1.505 23.698 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 -0.577 -2.917 -1.796 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 4.862 9.721 10.665 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 6.036 -1.351 -18.781 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 0.673 -0.219 -3.660 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 11.068 9.664 9.896 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -1.963 10.719 -11.067 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 -3.985 -3.803 -7.943 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 14.196 -14.976 15.387 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -8.715 -8.772 8.780 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 -2.908 -6.012 2.548 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -12.684 -19.394 -3.708 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 6.124 -14.356 9.500 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 5.214 -4.399 -2.372 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 12.667 6.291 -1.358 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 8.955 -16.183 7.559 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -1.146 5.374 -0.048 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 -5.919 -8.901 4.507 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 4.736 16.592 5.258 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 1.457 -4.209 3.837 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -13.139 -6.566 -2.428 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 -0.505 1.777 -2.834 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 3.669 -7.468 1.167 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 -16.023 5.880 -12.196 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 -20.129 26.633 2.002 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 1.492 -6.261 7.939 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -2.366 -11.071 10.811 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 7.762 36.857 7.230 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -1.419 -0.035 -7.403 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 8.815 -11.293 -2.460 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -9.753 6.630 -7.140 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 1.847 2.730 -2.519 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 6.550 -5.912 -1.580 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 7.731 -5.240 -8.307 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 1.762 0.608 2.006 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 2.108 -6.104 2.958 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -0.105 -3.593 -10.680 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 -0.060 -2.078 -5.938 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 1.346 3.757 -14.041 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -1.827 -11.361 -3.110 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -2.248 5.919 -1.173 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 9.148 7.970 9.254 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 5.151 17.030 -14.894 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -2.052 3.694 4.008 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -1.086 11.145 20.245 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 6.833 16.600 -10.982 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 7.961 -2.190 -5.840 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 3.789 -8.749 11.286 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 24.339 2.241 -9.292 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -0.309 -5.465 3.613 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 -15.001 5.701 6.433 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 1.187 0.203 4.394 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 -1.763 -4.200 7.485 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 -6.343 1.914 12.311 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 -5.524 5.390 11.589 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -0.625 -1.752 1.349 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 -6.075 -21.578 -0.069 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 2.110 1.540 -0.554 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 -2.015 -1.995 -3.254 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 -21.996 5.989 2.914 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 -6.380 -2.862 -6.938 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 1.763 -3.990 -6.892 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -0.539 -6.024 11.926 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 -20.110 6.354 -5.680 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 2.431 -1.376 1.991 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 -17.428 13.118 26.704 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 5.398 -2.701 0.021 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 2.619 -2.542 -0.630 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -6.240 -6.776 6.446 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 11.601 -1.069 6.083 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 -2.435 -2.679 0.861 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 -9.200 3.318 -10.764 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -3.503 -4.784 -7.240 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 1.777 1.726 0.119 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 24.976 16.007 -1.633 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 -9.647 -20.135 -13.884 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 -9.397 2.323 3.159 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -11.355 1.151 2.280 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -8.605 -7.087 9.893 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 1.070 -5.487 -2.583 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 -5.496 -11.178 14.619 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 -3.242 -13.390 10.531 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 0.669 2.332 -6.808 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 9.422 -0.699 -8.339 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 -0.371 1.787 -5.183 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 1.200 2.378 0.828 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 6.405 5.484 -6.181 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 -1.401 0.160 1.052 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 2.089 -8.833 -2.377 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 10.804 12.297 9.991 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 -19.812 -11.667 2.697 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 3.021 -8.434 -4.699 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -6.797 -9.399 -28.212 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 6.788 1.416 20.541 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 4.182 -5.897 -1.972 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 2.538 16.681 -2.176 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -16.463 -5.994 -4.483 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -3.075 7.796 -0.289 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 0.732 -0.474 3.259 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -7.572 14.631 -2.459 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 2.579 -3.952 1.139 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -9.317 -36.849 11.159 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -0.798 -12.050 4.304 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 3.391 1.284 -3.690 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 3.990 6.412 5.346 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 18.619 -18.370 -4.993 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 6.139 -1.463 -1.249 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 14.284 28.922 16.051 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 -15.984 -0.093 0.857 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 1.978 -2.415 -1.824 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 18.191 15.039 -7.277 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 -5.165 -0.321 -5.500 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -5.998 -2.597 -2.418 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -8.432 -19.376 12.154 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 -1.041 -4.855 -5.583 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 -6.471 3.514 0.518 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 15.252 1.800 -36.423 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 -6.887 11.011 -15.659 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 -3.445 1.026 -2.851 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 0.414 29.787 4.678 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -14.241 -9.244 16.605 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 7.760 -6.728 -0.266 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 3.653 -6.551 0.255 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 -4.934 -8.670 -18.325 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 -7.819 -0.780 -4.178 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 -2.513 2.663 -6.554 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -15.219 -16.932 -16.476 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 -2.081 -1.752 0.794 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 12.319 -1.427 2.636 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 2.394 9.294 -4.502 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 -0.338 -5.672 3.564 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 14.214 -17.255 4.831 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 6.554 0.942 -11.297 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -1.526 -5.317 -5.404 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -12.517 3.553 16.893 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 16.843 1.122 4.763 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 -3.738 -3.274 4.442 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 5.950 -3.678 10.036 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 8.690 0.313 6.737 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 1.871 3.198 12.092 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 1.238 5.253 2.498 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 7.840 12.451 19.635 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -2.414 -0.823 5.028 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 8.729 18.896 -11.589 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -3.573 -5.841 11.087 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 -1.179 -2.988 0.308 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 0.276 -1.187 5.647 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -7.570 2.176 -7.380 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -2.074 -4.223 1.060 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 -8.767 -18.404 23.150 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 0.048 0.854 -0.134 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -1.369 3.682 0.314 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 -0.312 13.663 0.512 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 20.152 45.527 -6.558 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -2.892 0.512 0.598 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -2.258 -5.099 -3.459 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 0.541 -3.233 -4.607 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -1.464 -1.390 -3.971 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 3.206 -21.502 -12.828 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 4.559 -7.262 -24.180 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 0.508 -0.298 -0.589 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 -3.016 0.889 14.815 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 -2.769 8.464 -3.552 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 -3.361 3.170 -9.653 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 -3.752 7.434 20.157 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -12.488 1.182 -30.327 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -0.290 1.032 -1.900 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 -20.460 -3.588 16.045 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 19.805 4.062 15.708 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 2.390 -2.354 -5.075 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 -18.778 -8.247 -10.830 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -21.630 -6.544 30.037 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 1.213 -1.295 -3.178 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 2.079 15.439 2.849 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 -5.696 -0.753 16.757 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 1.745 -3.078 -7.675 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 3.927 0.711 9.433 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 1.631 10.151 3.117 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -0.826 4.421 -1.123 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 17.603 -3.099 3.663 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 2.846 26.018 4.024 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 1.581 4.527 -1.824 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 1.047 8.796 1.155 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 -3.931 5.437 0.274 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -0.991 6.766 5.208 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 5.295 11.555 -3.522 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 25.002 23.031 -0.865 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 -0.929 -8.802 4.838 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 12.880 -9.889 16.966 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 0.322 -14.126 -7.402 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 1.560 3.259 2.861 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 12.058 21.311 -14.739 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -1.104 -2.269 11.938 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 -2.473 0.403 4.124 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 13.468 7.404 16.886 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 -32.065 4.717 4.231 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 2.845 -1.300 -3.718 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 25.593 19.295 -2.403 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 30.448 -21.048 0.847 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 -9.110 2.640 5.402 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 3.647 3.212 1.899 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 15.455 5.199 -0.595 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 -6.053 -0.302 -0.767 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -11.313 0.512 -2.714 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 5.980 -10.827 4.021 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 -1.255 5.149 -4.451 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 -14.630 -15.584 31.813 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -25.726 14.572 1.674 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 1.249 2.848 -8.853 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -1.380 -10.829 5.499 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -9.757 5.999 -9.289 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 2.868 8.807 1.667 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 -1.320 -11.859 -9.506 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 -7.769 -8.123 -6.469 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 0.753 6.768 0.403 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 8.283 -9.215 0.398 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 0.443 7.777 1.056 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -0.637 -4.008 3.207 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -1.740 8.177 36.400 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 0.915 1.257 26.478 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 1.636 -7.676 0.107 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 0.093 -6.803 0.436 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 18.093 -6.137 1.125 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 -2.622 -5.808 -2.370 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 -12.723 -7.235 4.125 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 12.729 1.787 4.157 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 2.076 6.647 1.613 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 14.821 -0.851 3.389 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 3.907 1.568 -3.344 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 4.760 -2.468 -2.905 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 12.134 -9.179 -0.110 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 9.188 18.542 10.481 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 -0.574 -2.151 -2.640 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 0.641 -29.370 -10.347 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 -0.238 -19.503 4.771 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 2.314 4.566 1.331 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -12.100 -6.430 14.012 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 10.141 22.348 16.820 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 6.678 -0.341 0.040 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 5.865 -3.156 -9.190 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -4.662 -5.189 2.055 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -3.740 -0.577 2.786 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 -5.171 -10.565 2.983 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 2.067 10.762 3.736 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -4.250 5.441 -3.731 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -6.927 10.105 -1.276 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 1.240 13.450 -1.965 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 -1.552 -2.268 -3.065 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 -3.064 14.273 -4.936 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 11.188 3.464 9.020 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 -5.487 -8.021 2.242 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 13.252 -28.936 -6.009 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -18.218 1.018 -17.396 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 4.113 6.289 -2.889 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 4.404 5.404 7.197 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 17.407 14.927 -7.613 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -2.932 -1.131 4.025 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -15.028 12.190 -13.095 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -1.464 -32.750 2.375 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 -3.811 2.854 -6.075 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 7.569 2.763 1.807 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 10.903 3.382 -0.147 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 6.587 -1.815 3.056 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 1.062 -2.982 -1.063 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 0.831 -6.158 -2.271 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -2.130 -2.837 1.069 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 11.670 -8.602 11.971 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 -3.570 -3.078 -0.938 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 0.751 2.936 -3.837 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 2.636 8.340 -1.193 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 22.191 1.004 4.032 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 -1.312 6.647 -1.380 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 -3.011 -1.417 4.840 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 5.460 14.182 8.778 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 7.808 -2.041 0.785 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 7.673 -3.577 -5.107 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 12.395 9.908 10.995 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 1.995 2.589 0.173 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -5.806 -2.974 -1.092 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 0.852 7.046 -1.933 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 3.035 -0.203 -0.440 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 4.090 8.859 5.121 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 -6.826 15.284 0.973 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -6.225 3.021 -7.703 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 5.255 3.466 -4.502 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 10.184 -7.948 0.023 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -1.840 5.032 -1.428 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 9.659 5.061 1.863 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 30.456 -16.512 2.031 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -3.273 3.038 2.455 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 -0.631 -17.200 11.940 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 -4.095 12.969 -9.605 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 2.009 3.017 -5.789 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 12.395 1.576 -5.844 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 -18.600 9.270 -14.412 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 1.778 0.270 -1.297 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 13.703 16.470 -0.803 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 1.353 -1.727 -1.503 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 -5.227 1.693 -3.388 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 4.992 -3.916 -0.421 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 -7.005 -21.608 -10.406 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 0.290 4.128 -0.112 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 3.134 24.673 8.508 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 19.056 14.102 22.623 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -1.274 3.592 -2.908 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 10.859 -2.711 -7.226 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 -1.256 -2.945 -11.441 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -1.866 -1.298 -8.882 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 4.716 31.534 5.874 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 -2.881 13.647 -0.817 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 -1.097 -1.000 -4.145 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 -14.796 0.977 -9.770 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 3.963 36.502 26.171 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -2.213 5.952 1.134 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 1.555 29.784 -18.929 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 4.839 -4.602 -5.811 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -1.453 2.386 4.760 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 -9.840 5.920 -4.453 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 -13.971 7.650 -6.731 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 0.831 0.679 -0.535 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 21.273 -36.078 -0.557 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 3.767 3.527 25.098 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -7.917 0.376 -4.990 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -10.688 2.339 6.039 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -7.564 -9.597 -25.783 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 2.591 -2.643 11.571 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 5.153 -4.954 6.563 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 17.372 2.669 -4.338 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 4.081 0.728 2.508 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 8.924 6.624 -1.552 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 -6.084 -9.931 12.460 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 4.212 0.694 -0.374 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -21.331 12.251 13.640 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 -1.350 15.489 8.245 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 5.005 1.531 -1.640 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 -3.015 9.820 3.585 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -11.250 8.439 18.549 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -6.195 3.723 1.844 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 -7.990 -10.576 6.477 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -7.944 3.907 3.213 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 -0.952 7.175 6.755 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -19.565 -0.708 -4.828 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 -5.119 3.232 1.661 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 9.538 3.764 -0.268 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 10.536 -9.444 -7.873 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 18.116 9.384 -2.252 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 -2.048 -1.424 -1.467 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 6.062 2.906 -2.112 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -29.426 -8.290 -1.419 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 1.940 -7.014 -1.679 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 5.180 -3.253 -4.905 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 14.014 -7.024 7.611 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -2.271 -0.443 -6.872 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -15.175 -20.024 -12.074 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -15.234 -4.657 24.561 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -3.187 6.991 6.199 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 15.379 -1.661 -8.129 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 6.448 5.563 -5.226 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -0.089 8.324 0.957 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -37.282 19.685 -39.501 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 12.395 -51.137 10.254 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 -6.655 -8.504 -3.017 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -4.301 18.003 6.732 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -1.955 -14.348 9.870 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -0.429 1.650 0.001 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 -11.961 0.703 -3.202 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 -3.873 21.911 11.193 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 7.740 5.277 4.614 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -12.580 -1.347 -4.670 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 18.502 -6.848 -13.772 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 4.587 -2.741 0.444 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -6.355 7.848 7.976 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 1.124 -4.093 24.626 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -1.653 -3.712 -2.918 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 -7.154 3.612 28.547 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 4.383 6.482 -3.626 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 -0.028 -4.632 -6.400 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 5.732 -13.458 -16.101 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 -8.678 10.297 -2.117 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 8.662 5.515 0.634 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 25.260 -8.251 15.553 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -6.020 22.312 15.087 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 5.073 -8.732 5.048 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 -2.122 -7.034 7.094 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 3.748 -9.760 7.669 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 4.175 -7.299 -0.682 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 10.883 -12.288 10.679 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 22.092 7.529 25.002 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -5.493 -2.062 5.473 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 -10.785 22.105 8.046 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 -2.135 26.609 -2.898 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -3.927 0.666 -4.483 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 7.758 -3.425 15.514 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 -6.048 -7.410 -11.603 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 3.393 -4.429 -0.901 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 7.584 -7.704 -6.289 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 1.893 -9.502 4.642 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 11.317 -1.272 -0.216 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -8.216 6.677 12.850 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 -3.489 2.862 6.475 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 1.126 0.499 -2.952 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 3.093 19.333 -26.316 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 -8.637 21.145 0.734 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 -5.458 -3.796 -2.908 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 40.718 -15.488 4.211 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 4.714 1.256 -33.233 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 3.054 -2.396 -5.496 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 12.847 0.596 6.816 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -0.894 3.406 -14.453 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 9.772 -3.177 -11.453 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 -13.373 2.954 17.002 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -2.030 -9.449 -14.905 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -2.076 3.440 0.151 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 24.930 -1.435 -15.633 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 4.643 7.029 -3.266 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 -0.094 1.942 -5.143 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 5.292 -4.442 -6.968 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 -11.113 -12.134 -3.154 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -4.224 4.195 -1.977 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -5.423 4.593 24.894 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 5.780 15.042 14.051 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 0.472 -6.025 -0.770 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 3.530 -10.899 -9.554 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 13.661 1.059 -6.353 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 2.351 -6.841 -7.202 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 10.503 -11.024 -17.967 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 7.492 -6.180 -9.490 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 4.359 1.688 -1.269 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 -6.230 -2.899 1.933 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -32.350 -16.141 10.476 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 -1.516 0.736 5.599 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -8.987 -10.638 16.062 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 -0.133 0.012 7.117 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 0.492 9.152 -1.034 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 11.508 3.859 14.016 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 -4.161 15.471 3.812 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 -2.062 -2.899 -1.562 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 -13.477 2.573 -4.961 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -13.782 9.247 -7.203 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -0.854 1.972 -0.427 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 3.529 -0.560 5.690 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 10.555 -0.532 4.355 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 0.615 -3.755 -2.577 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -7.438 -12.352 -14.089 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 17.318 -5.577 12.720 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 3.694 4.568 -3.708 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -27.641 -17.261 7.973 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 8.151 6.097 -21.274 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 4.455 -8.247 3.827 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 12.414 -13.687 7.004 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -5.341 -9.405 14.519 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 9.421 -1.773 -6.492 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 -32.239 -3.182 -7.460 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 15.461 -7.755 1.864 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -5.505 -2.317 -3.670 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 -0.237 -0.528 -9.925 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 -1.380 0.863 -6.626 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 0.613 -2.473 -4.277 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 -20.550 -13.252 6.862 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -5.725 10.416 -21.920 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 -0.616 3.312 -0.912 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 -4.636 7.131 14.552 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 -3.182 -5.568 -15.815 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -5.361 1.424 -7.310 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 15.484 -5.756 1.486 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 9.725 5.031 -6.224 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 7.033 1.943 -2.973 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 5.533 -28.053 14.511 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 13.342 19.954 18.720 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 -2.482 -2.029 -3.642 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 2.575 12.182 -26.225 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 9.248 1.608 8.062 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 6.314 -4.083 5.606 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 7.244 5.533 7.094 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 8.131 -6.027 -2.327 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 -3.893 -0.844 -1.211 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 -0.461 -7.282 1.684 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 -4.371 -3.362 -2.360 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -4.782 -2.140 -4.797 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -1.358 -1.362 -15.030 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 -24.620 -7.057 -2.279 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -1.279 -0.146 5.500 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 22.223 5.296 14.435 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -25.947 -23.793 22.565 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 5.577 0.770 -3.138 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 8.474 2.602 14.999 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 20.468 -7.768 -10.455 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 1.907 2.270 4.203 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 7.868 -5.907 4.584 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 -2.955 3.893 5.823 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 3.156 2.177 -3.809 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -9.584 5.940 -14.328 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 19.431 -10.122 1.070 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -0.735 8.748 4.001 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 -5.646 13.326 15.235 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 6.013 1.253 13.335 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -2.433 4.468 -4.589 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 6.279 -13.097 14.000 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 -6.107 16.228 9.815 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -3.486 -3.055 -2.305 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 11.188 -15.081 -15.503 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 5.433 -11.817 -4.021 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 5.683 0.391 1.729 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 19.254 12.168 4.883 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 -11.781 -13.853 -3.766 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -6.448 4.531 5.217 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 -10.090 8.137 -12.742 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 -4.880 9.317 13.573 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -0.748 6.248 -3.767 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 2.588 0.899 -3.389 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 7.463 -6.614 -1.596 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 3.872 6.411 5.606 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 5.154 4.260 7.160 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 24.687 5.698 -18.222 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 1.321 -0.915 6.770 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -8.854 8.373 -19.664 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 14.136 5.509 14.094 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -7.086 0.902 2.383 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 -22.256 -15.130 1.298 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -9.725 0.576 3.089 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -6.003 1.617 6.141 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 2.778 -10.663 7.366 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -17.669 8.286 29.493 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 0.635 -1.994 1.778 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 4.372 -19.651 -5.474 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 8.663 5.929 4.421 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 0.461 2.068 1.853 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 11.458 7.247 -14.055 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 8.071 -11.653 5.286 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -2.838 -0.180 -6.831 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 -13.914 5.512 -6.120 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 2.690 -4.903 -9.081 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 6.014 -2.686 3.432 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 -9.591 -7.564 0.558 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 23.445 3.485 6.877 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 0.192 -0.206 -2.703 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -15.343 -3.294 4.362 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 -2.394 17.458 6.150 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 -3.758 2.287 2.126 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 3.491 -16.057 11.949 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 18.058 4.127 -3.144 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 -1.499 5.347 4.635 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 2.568 6.441 10.728 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 14.428 -4.805 1.182 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -4.899 -1.550 -1.625 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -7.945 -3.401 -2.081 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -0.048 -9.356 -1.935 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 3.224 2.611 1.801 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 4.163 -9.998 -1.748 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -10.092 -3.383 -1.934 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 4.346 -5.471 -1.380 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 -15.499 -26.564 11.679 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 -4.650 -4.090 -6.221 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 4.750 4.979 -3.196 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -2.045 6.556 -15.570 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 0.198 -0.569 3.791 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 5.873 -1.144 -0.038 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 10.433 4.259 20.528 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 19.878 -12.257 1.389 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 7.491 2.094 -3.030 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 11.052 0.689 29.836 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 -11.575 16.731 -5.661 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 1.988 0.293 -3.393 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -9.013 2.947 -3.723 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 14.660 2.690 4.298 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 3.150 8.091 -4.702 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 -13.028 -3.443 -8.510 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 7.155 0.439 20.232 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 -4.255 -1.377 0.358 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 3.796 -6.169 -16.021 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 -15.408 15.467 -10.287 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -5.166 -6.747 -0.545 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 14.443 8.785 9.482 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 9.116 -11.350 3.091 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 0.304 -0.599 1.322 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 10.790 14.553 -4.610 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 5.114 23.408 -5.296 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -1.044 -2.009 -0.288 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 -22.918 6.021 35.525 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 9.121 7.105 10.913 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -12.124 -3.279 -3.138 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 -11.672 -0.859 5.741 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 14.586 -6.875 -17.585 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 -4.479 -4.783 -7.958 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -15.034 -13.548 -8.246 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 -5.292 -4.451 -7.004 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -0.119 6.959 1.022 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 12.301 1.176 0.599 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 23.740 8.334 2.988 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 -2.610 4.729 -2.162 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 -1.164 3.873 -0.984 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 -3.841 6.311 -4.270 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 -0.114 4.135 -2.629 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -5.764 -3.849 -1.881 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -20.713 17.195 7.774 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 8.851 1.029 2.938 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 16.523 -0.785 -3.218 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -15.110 3.705 -1.875 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 -5.571 5.637 -5.039 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -18.371 10.388 -4.695 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -8.882 6.143 -4.879 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -3.474 -5.583 -5.294 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -9.366 -7.926 -4.752 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 0.543 -4.506 -5.760 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 5.391 4.057 2.940 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 13.167 -3.998 -3.638 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 -11.836 4.145 -2.438 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 4.477 -1.486 4.746 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 5.733 -30.161 5.856 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 27.090 1.709 -8.687 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 -3.945 1.897 2.281 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -10.725 5.175 10.350 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -14.059 5.404 -2.752 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 3.643 7.309 2.835 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -1.742 26.613 -6.072 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 -5.832 4.502 12.490 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 -4.063 7.548 -2.827 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 -15.305 3.365 -19.219 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -12.006 -12.543 5.217 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 -3.620 -2.316 -5.225 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 4.082 -21.283 16.689 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 0.577 -9.356 6.305 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 4.540 -8.136 4.242 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 4.872 -7.615 6.159 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 2.633 -9.923 2.320 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -3.656 0.737 -2.218 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -4.364 -0.807 -2.053 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -7.218 0.322 -1.814 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 7.626 -5.283 0.404 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 -2.096 21.202 -2.364 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 -2.451 -11.299 10.423 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 5.148 6.228 -5.774 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 16.776 13.738 17.923 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 19.472 -9.550 -6.473 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 6.235 1.904 1.637 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 5.451 -7.907 -2.903 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 -1.675 5.273 5.468 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 4.393 -5.311 2.306 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 1.094 -0.965 5.538 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 1.744 -3.487 0.528 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 -5.727 5.422 -3.897 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 21.397 5.594 -8.430 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 6.160 7.999 -10.339 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -0.371 -2.862 -0.194 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -11.266 13.634 9.140 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 -12.317 -25.168 -9.428 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 3.527 0.853 0.642 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 -19.517 9.614 -2.544 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 22.534 -3.021 3.163 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -0.537 3.616 -1.440 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -9.992 -7.478 10.559 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 20.639 1.448 -16.868 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 -3.179 -0.683 -3.554 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 0.095 -8.121 -15.283 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 8.283 12.121 0.765 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 1.532 1.716 2.111 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 4.127 -3.563 3.850 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -4.790 6.041 3.035 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 1.975 8.284 -0.206 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 7.802 -22.262 6.547 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -0.249 19.268 -1.643 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 2.037 -2.431 -2.160 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 -3.401 7.823 4.039 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 -12.024 -5.165 -5.497 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 0.147 -1.197 -0.647 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 -6.628 -12.166 3.395 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 -0.361 -4.963 -30.210 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 -0.226 -3.644 -4.514 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -9.116 2.938 -2.414 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 15.323 -2.180 6.483 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 -0.725 0.463 3.317 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 4.888 19.030 -16.123 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -5.039 -4.442 -1.325 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 -7.834 -5.775 -0.255 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -24.760 9.421 -7.889 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 6.522 10.641 0.115 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 0.780 -3.970 -1.739 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -13.119 -14.319 -25.145 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 2.404 -3.692 -0.342 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 3.417 1.435 9.212 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -7.955 13.655 -7.066 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 -0.014 12.385 25.680 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -2.940 -2.630 -1.424 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 33.011 -21.273 -1.817 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -8.747 5.595 -0.634 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -2.948 -1.077 5.691 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 11.967 19.128 -1.424 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 9.759 5.622 10.523 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 2.673 0.228 3.249 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 7.365 28.470 33.109 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 0.534 -2.189 0.610 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 1.955 -0.329 -3.329 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -2.720 8.931 -1.562 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 4.006 -6.905 1.181 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 5.913 6.056 -4.289 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 -9.564 -1.635 -14.023 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 11.425 16.023 -3.345 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 6.076 0.189 -1.386 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 1.698 -6.695 3.714 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 -2.403 -11.030 0.056 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 3.684 0.291 -0.216 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 4.626 -10.997 -7.473 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 10.598 -1.326 -0.855 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 5.562 3.374 -5.331 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 -8.428 1.658 -5.507 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 16.456 -6.829 -7.009 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 7.040 0.069 1.327 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 -8.728 -14.242 5.555 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 3.377 5.728 11.406 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 5.066 2.122 2.294 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 11.982 12.539 3.625 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 0.905 -6.939 2.381 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 1.799 -3.087 -8.002 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -9.878 10.404 -10.905 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 19.821 -1.228 3.013 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 0.153 6.468 -2.902 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 24.747 -9.692 -8.363 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 -12.668 12.682 3.529 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 -5.781 9.874 -5.103 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 -5.314 1.367 7.089 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 -29.446 4.936 -1.531 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 -2.643 4.569 -3.830 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 12.518 6.321 -25.218 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 18.783 -2.300 17.599 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 1.146 3.064 0.589 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -0.444 -9.597 2.622 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -1.842 4.730 10.761 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 -0.374 2.086 -5.123 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -0.759 -0.435 -13.242 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -11.348 0.574 -0.707 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -1.223 6.253 2.021 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 -2.983 12.420 16.392 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 -1.340 4.937 3.225 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -3.460 -0.362 -3.350 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 -13.093 17.857 11.086 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -10.511 7.749 21.471 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 -1.122 -0.144 -4.837 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 -1.651 -21.390 6.116 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 0.434 1.864 -7.001 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 8.499 2.305 -0.818 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 -10.547 -36.904 -17.910 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 11.876 14.496 11.168 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 2.572 0.873 0.076 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 1.878 11.003 5.016 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 -4.936 -7.023 -31.486 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 -4.506 2.279 2.084 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -2.765 28.369 12.099 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 16.557 -2.740 -20.961 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -8.053 -2.709 5.617 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 21.762 8.612 -9.089 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 -0.007 1.645 8.292 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 3.967 0.709 -9.276 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 1.466 6.683 -12.632 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 -23.357 -1.001 -14.898 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -2.176 -1.024 -0.861 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -5.870 1.657 -2.751 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 2.010 -1.652 7.522 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 -4.020 1.242 0.997 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -16.610 -13.029 5.760 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 10.067 -2.571 17.368 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 1.298 -0.286 -4.030 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 18.202 -1.419 -0.189 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 10.903 9.902 -23.215 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 -0.560 -4.833 -2.610 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 0.798 4.087 2.609 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -8.073 6.112 7.175 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 2.678 -3.015 3.460 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 0.261 -3.210 -1.391 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 0.086 -2.644 -1.600 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 -2.836 -8.704 2.930 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 5.381 1.097 -26.214 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 -35.585 -7.399 12.538 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 -3.456 -4.183 2.591 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 -14.682 -6.318 -10.841 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 16.434 2.223 -10.976 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -2.469 -6.490 0.540 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 -1.136 -7.184 2.571 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 6.192 -8.267 -37.633 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -3.056 3.967 1.179 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 6.114 -6.255 5.927 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 8.499 4.066 10.668 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 1.395 2.100 -0.057 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -2.546 8.659 23.344 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 0.397 7.834 -2.993 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -2.948 0.397 -8.157 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 12.860 -19.532 7.547 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -0.515 -25.815 -13.265 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 -4.398 4.116 5.549 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 11.868 3.251 11.065 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -11.220 -0.974 9.822 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -6.457 3.934 1.464 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -4.800 4.695 7.546 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 -3.600 8.154 -2.662 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -2.606 -0.201 0.259 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 6.113 -6.811 3.912 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 3.027 7.273 -1.591 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 -3.669 -0.424 3.310 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 -10.412 3.443 -6.244 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -15.194 -5.928 6.318 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 6.637 1.042 1.424 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 10.469 0.340 -7.872 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 17.031 6.329 -1.725 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 1.331 -2.019 3.894 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -5.918 -13.245 -5.519 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 3.544 -3.509 -14.878 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 3.491 4.621 -5.234 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 7.813 25.054 0.203 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 28.785 21.504 -14.269 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 2.380 1.684 -0.401 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 -2.842 17.087 9.303 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 -3.690 2.701 7.184 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 -0.991 0.972 0.866 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 9.273 -15.471 -15.655 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -3.555 0.722 -4.660 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 -1.069 5.373 1.683 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 -2.148 -3.920 0.765 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 -5.408 6.518 -2.187 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 8.079 -2.668 -1.117 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 8.229 -1.845 -16.237 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 0.393 -1.644 20.488 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 -0.951 -7.234 -7.394 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 -2.819 -16.018 -20.794 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -28.487 -20.140 -34.590 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 -0.352 1.666 0.454 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 0.296 -0.319 -1.593 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -1.201 4.256 -0.854 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -0.011 -5.397 0.475 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 -5.449 -8.778 11.666 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 9.857 -1.068 8.584 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -5.591 -3.102 -0.655 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -1.813 0.525 3.749 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -6.044 -4.050 -1.382 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 0.597 5.002 1.904 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 12.425 22.593 0.726 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 7.302 6.411 0.798 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 -0.507 5.982 -1.108 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 11.168 8.134 5.951 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 18.365 -15.406 18.835 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 3.054 0.360 8.415 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 -3.925 -16.583 -16.660 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 -5.392 5.445 -2.003 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 -1.606 0.216 0.941 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 5.570 8.184 28.450 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 0.459 -1.889 2.350 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 -2.373 3.976 1.030 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 2.273 1.442 -6.585 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -4.364 27.297 -3.654 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -0.953 -1.142 -7.366 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 -22.551 -18.226 -16.060 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 0.177 -4.522 -2.864 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -1.038 2.143 2.856 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 17.612 -6.339 6.158 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -9.558 11.339 21.216 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 -1.076 -7.732 -2.345 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 7.950 24.358 -3.455 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -5.372 -5.167 -2.894 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 -1.503 3.697 -3.368 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 3.519 8.865 -1.450 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -5.277 4.147 -11.892 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 2.882 7.086 1.542 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 1.970 -10.840 4.671 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 0.956 0.581 2.505 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -0.521 3.688 1.182 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 3.065 9.443 -7.331 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 8.145 8.870 -0.166 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -12.235 4.065 5.124 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -6.743 -1.756 6.194 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 14.315 1.773 -17.920 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 -2.364 -0.971 5.084 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -2.610 -15.823 -0.415 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -3.480 6.574 -3.001 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 4.254 0.205 -1.874 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 8.791 -5.161 -2.344 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 2.456 11.660 -0.900 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -1.470 -2.154 6.657 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 14.333 -6.542 8.230 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 2.985 9.654 24.178 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 6.321 1.533 1.835 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 2.859 0.290 2.090 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -4.247 8.910 1.330 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 -0.910 -0.562 1.644 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 -7.531 -6.148 -5.672 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 4.858 1.786 1.675 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 -5.118 -6.735 -5.669 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 -17.187 -5.798 -11.966 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 9.500 -13.661 5.272 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 0.468 -3.960 -1.304 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 12.556 1.586 -10.255 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -14.881 -6.611 0.630 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -3.075 14.881 4.343 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -27.564 24.838 12.192 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 8.350 24.748 -1.273 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -0.786 1.843 1.518 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 -13.475 14.293 9.170 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 14.503 13.640 -3.950 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 5.384 9.800 1.179 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 -15.538 18.599 -5.946 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 12.705 4.835 3.017 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 6.417 0.735 -2.028 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 21.256 -8.970 -0.952 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 -16.383 4.863 -21.187 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 7.508 3.780 4.938 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 15.293 13.788 13.693 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -11.943 5.906 -12.343 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 -9.547 0.273 -1.554 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 22.318 -2.800 9.273 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -9.158 -0.022 -34.595 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 5.408 1.304 -5.315 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 -8.782 7.012 -15.384 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 22.270 0.868 -14.615 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 0.589 3.464 -0.358 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -18.576 13.080 -0.697 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 2.088 1.809 -3.129 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 -3.431 1.232 -2.423 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 -11.399 -7.951 20.448 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -9.318 -5.932 12.973 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 -4.642 -1.146 4.094 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 18.363 -4.952 -1.399 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 0.744 -6.265 9.999 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 4.986 -4.042 9.887 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 31.233 8.125 -0.011 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 8.754 9.253 5.103 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 0.227 0.589 5.908 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -20.234 2.222 -1.651 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 1.300 1.752 30.115 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 3.923 3.189 4.029 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -2.180 -4.794 -7.482 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -2.962 5.047 -5.988 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 2.545 -9.789 0.218 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 10.411 6.401 -8.175 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 13.053 -4.767 0.000 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 1.886 2.507 1.313 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 8.472 5.446 9.083 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 0.778 1.930 3.136 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 5.420 -2.465 -3.804 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 19.882 -4.263 8.367 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 -9.223 -11.978 -17.996 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 3.258 -2.869 -3.008 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 12.559 -20.808 -28.077 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 13.601 -22.201 -29.010 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 3.557 3.486 5.652 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 2.279 1.554 -3.730 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 10.321 -0.778 18.481 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 3.327 -7.660 -1.450 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 -4.832 -4.458 -3.561 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 1.832 -2.164 -3.598 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 2.845 0.421 -5.240 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -4.343 -2.716 -5.990 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 -5.108 -0.927 -3.213 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -1.431 2.590 1.874 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 -15.510 14.408 5.726 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 16.293 8.461 9.346 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -3.812 3.659 -1.233 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -9.880 20.367 -21.810 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 11.111 -18.803 -10.055 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 2.675 2.326 4.885 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 6.741 1.857 -2.979 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 8.342 1.685 -7.849 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 8.899 1.179 -0.010 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -4.631 -4.631 8.288 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 2.482 11.508 4.389 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -0.331 5.259 -2.363 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 -8.959 2.755 -8.879 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 -13.476 -2.817 -14.026 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 -4.490 0.184 -2.277 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 12.635 5.894 20.211 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 -19.712 3.832 5.373 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 2.862 0.599 -1.814 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 0.802 16.686 -18.400 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 -5.557 -2.779 16.927 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -1.405 0.015 -3.275 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 2.154 8.121 1.296 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 -0.544 13.910 -19.428 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 2.532 -1.159 -12.227 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 9.704 14.546 3.363 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 16.823 -22.027 24.345 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -0.763 -7.487 -1.623 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 -10.904 -28.662 -18.827 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 14.139 15.554 24.705 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 3.297 2.481 5.230 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 14.503 -12.554 -20.926 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -15.380 15.176 23.527 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -8.701 1.391 6.989 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -11.644 -4.691 20.170 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 -20.341 -4.896 -0.512 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -0.644 1.623 -4.000 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 10.596 14.805 7.449 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 5.725 16.011 -29.437 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 6.535 -7.017 3.931 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 -20.744 -16.425 12.131 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 5.940 16.112 8.024 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -2.158 4.309 -4.475 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 0.163 6.724 -0.124 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 1.769 3.148 -14.162 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -1.210 -1.307 6.342 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -0.944 8.548 -5.043 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 13.281 -1.558 12.502 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 0.181 1.577 -1.869 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 19.078 -6.469 -2.856 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -1.659 11.003 2.219 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 2.985 7.891 -3.456 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 4.046 -0.302 8.579 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 -6.673 18.687 2.899 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 1.574 1.329 -3.877 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 12.877 -10.149 10.142 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 14.688 9.844 -35.839 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -0.440 -4.001 -4.146 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 17.026 4.267 10.418 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 13.906 -3.943 23.477 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 2.451 -1.734 -0.102 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 -0.485 -5.037 3.184 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 4.250 22.992 -6.846 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -2.859 -5.351 3.588 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -9.080 -4.610 7.377 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 -13.520 -4.874 6.197 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -6.323 -9.722 -4.840 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 17.162 -8.062 24.154 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -2.169 22.522 -20.966 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 0.052 -0.661 -2.011 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 7.555 12.883 6.779 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 -5.014 -5.722 -3.800 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 -1.084 -3.567 6.459 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 -20.378 12.695 9.616 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 -2.736 -5.605 -12.439 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 -3.792 3.150 2.977 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 14.175 16.677 5.430 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 -6.484 -3.337 -22.044 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -3.320 -0.904 -3.732 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 2.139 -0.719 12.920 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -40.829 -1.811 24.987 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 7.498 0.207 -1.263 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 13.132 3.626 0.664 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 10.698 5.607 -3.562 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 -0.831 -7.788 -1.559 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 -10.142 -12.910 9.424 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 9.554 -3.152 25.520 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 3.250 -3.025 4.971 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -7.435 8.763 8.637 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 13.136 -13.405 1.929 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 3.711 -1.445 5.357 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -1.318 -0.188 4.218 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 11.265 -9.291 -7.383 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 1.499 1.851 6.026 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 29.450 14.914 -2.587 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -26.501 -28.732 -16.637 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 0.194 -7.777 5.496 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 4.859 -13.832 14.186 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 1.161 -10.354 5.370 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 -7.923 2.003 6.149 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 19.455 8.996 -2.285 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 11.239 -9.722 -0.639 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 -1.429 -4.659 1.160 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 3.736 -25.199 -7.779 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 6.828 -3.852 -1.837 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 2.180 -3.370 -4.965 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 -4.696 6.715 -14.829 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 -7.754 -7.026 8.594 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 0.838 5.714 -1.363 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 -7.727 -26.680 18.122 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 15.170 26.135 24.555 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 -0.914 -4.199 -7.489 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -3.787 -17.652 1.013 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 -12.944 -4.552 -19.363 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 1.242 -5.156 3.099 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 13.935 15.387 10.484 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 15.036 -1.032 6.893 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -2.266 6.260 -0.363 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -8.774 -10.980 -3.628 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 -8.584 13.935 14.240 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 -0.651 -3.689 -4.260 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 13.394 16.115 -24.013 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 18.514 -14.495 0.230 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 -2.599 -2.449 5.655 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -2.028 0.002 2.135 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -2.269 -19.882 -12.528 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -6.121 0.205 -2.039 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 11.149 9.903 -1.310 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 -14.250 -5.758 -7.830 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 0.275 2.485 -0.753 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 1.821 -2.810 -2.941 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 14.817 18.932 6.517 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 3.765 -2.831 -2.104 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 -0.083 6.435 0.255 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 2.969 12.395 -26.205 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -1.373 -2.559 -2.927 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -1.809 8.149 7.429 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 37.680 -17.242 -17.224 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 1.095 -4.021 1.821 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 -0.868 7.681 6.340 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -3.259 14.720 5.205 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -3.235 3.765 -0.247 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 -5.951 -15.237 9.921 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 0.793 1.043 14.401 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 2.982 2.239 -4.180 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 -7.368 -0.310 11.974 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 15.504 25.977 -8.793 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -0.612 6.133 -2.189 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 14.941 -23.547 -32.905 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 22.592 15.422 4.243 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -3.140 -1.296 4.065 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -14.772 -3.402 26.832 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 -4.795 -4.383 -4.514 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 -5.194 -6.982 -5.169 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 -5.233 7.157 12.827 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 -6.172 -15.677 -16.316 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -0.708 5.375 1.991 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 3.094 12.343 -11.468 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -1.703 -14.472 7.293 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 1.924 0.651 5.937 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 2.310 15.657 33.667 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 14.571 -44.608 -22.232 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 -7.962 3.617 0.437 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -14.537 -15.603 -4.874 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -23.473 18.629 -2.953 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 -6.804 -8.142 -5.057 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 0.084 -17.830 -1.100 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 -17.514 10.360 -9.209 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 3.960 2.256 1.435 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -11.181 11.615 15.609 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 2.451 -5.600 5.664 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -5.384 1.263 4.492 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 1.415 -14.274 -6.616 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 22.469 10.987 -26.343 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 6.454 2.565 -7.218 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 -12.454 10.276 -1.268 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -19.339 11.565 6.520 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 5.575 -0.277 -7.978 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 6.873 -8.226 -1.145 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 10.536 6.638 -4.495 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 6.346 -4.648 0.707 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 16.265 1.931 -10.354 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -3.531 -2.067 -8.300 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 0.381 -1.516 -4.855 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 0.503 -5.465 23.135 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -4.200 -2.486 -1.782 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -6.138 -3.078 2.479 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 -7.978 -1.969 4.681 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -1.878 -3.765 17.108 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 -2.572 3.193 1.235 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 4.604 -5.720 -13.466 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -13.833 18.999 0.288 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 0.527 -3.451 -3.748 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 8.796 5.977 9.111 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 -21.758 2.689 -3.209 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -2.183 2.491 6.650 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -0.556 11.100 9.752 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -8.032 -16.202 0.287 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 -1.642 1.804 -4.930 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -3.766 2.846 -2.080 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 5.279 4.756 -2.914 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -2.742 0.648 2.041 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 -2.597 14.475 13.832 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 2.224 -8.975 10.633 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 -8.889 -2.087 -5.967 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 4.184 -19.954 -6.248 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 -13.837 5.455 -4.984 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -1.472 0.738 1.829 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 15.668 3.634 -1.661 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 1.713 -1.096 -1.377 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 -2.654 -2.145 4.400 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 -4.357 15.491 -3.705 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 -2.430 3.787 17.191 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 0.073 -7.476 1.177 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 -7.638 34.038 -5.514 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 6.849 0.381 -7.534 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 3.984 1.823 2.546 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 -11.586 -27.899 5.334 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 13.674 -15.222 25.860 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 0.882 0.909 4.546 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 3.952 3.643 3.141 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 24.516 23.588 16.220 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 5.630 2.911 -2.612 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 -1.675 -5.219 18.142 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 6.252 -6.053 -4.728 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 -1.432 1.698 -2.735 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 2.374 -8.331 7.473 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -2.619 -26.089 7.574 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 1.248 -4.590 -0.448 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 20.792 -5.663 -2.029 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 -11.440 -2.226 8.483 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 0.803 -1.735 -7.071 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 0.716 -1.216 -8.846 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 1.819 13.816 -16.121 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 4.453 2.405 -0.720 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 3.999 9.883 -4.662 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 15.336 20.837 -11.339 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 -2.613 6.582 5.265 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 -0.171 3.365 3.757 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 19.353 -13.683 -8.075 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -0.411 -1.204 -1.017 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -6.825 -3.582 -10.422 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -10.402 -4.284 -15.701 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 2.093 -3.622 7.165 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -10.129 -4.606 3.492 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 8.317 -11.050 0.585 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -3.298 2.824 0.141 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 19.983 7.345 1.380 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 9.644 4.120 12.691 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 6.822 -7.851 -0.546 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -15.478 11.179 18.804 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -9.791 4.777 11.977 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 0.185 -0.317 4.882 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -18.858 4.294 36.464 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 23.351 -30.135 13.402 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 5.463 1.307 -0.940 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 17.348 10.779 6.486 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 -12.595 -6.767 -13.542 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 -4.825 4.066 -0.180 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 1.911 6.602 1.004 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -7.779 -5.939 0.912 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -3.122 -7.501 1.700 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 -7.734 -5.086 -27.000 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 -16.709 -21.361 -7.057 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -1.980 -4.114 -1.666 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 13.804 -19.333 8.539 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -2.036 -2.420 -2.001 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 2.941 1.941 -1.324 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 -1.306 1.186 -14.196 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 -9.163 7.259 7.223 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -1.501 2.445 0.424 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 -18.172 -16.289 -30.945 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 4.536 4.387 24.115 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 1.577 3.610 -4.870 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -0.692 2.171 0.010 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -3.037 10.307 -12.539 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 -2.555 3.699 -3.047 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 18.647 -6.429 4.629 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 21.537 4.596 5.378 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 0.481 0.099 -3.981 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 2.146 7.158 -12.905 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -5.921 -7.943 5.428 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -2.325 -4.154 1.749 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -5.584 -2.756 1.983 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 2.435 -10.014 8.128 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 -3.119 3.820 1.919 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 7.038 6.787 -23.919 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 -4.437 2.996 -10.533 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 6.418 5.115 -1.149 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 31.632 6.101 21.729 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 16.468 -5.008 -37.609 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 2.167 -2.672 -0.726 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 3.895 -0.368 -13.487 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 2.982 6.435 9.537 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -3.932 0.393 2.668 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 13.512 -8.442 18.662 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -8.777 12.188 -31.551 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 -2.273 1.797 1.306 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 0.501 -6.604 0.011 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 1.773 4.052 3.800 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 -7.606 1.717 -4.878 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -10.671 -10.751 21.187 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 -14.655 -5.602 -34.671 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 3.151 -4.508 -1.671 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 3.096 -5.648 5.730 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 6.088 -5.665 -2.677 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 3.562 -0.338 4.009 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -10.643 -3.659 8.500 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 10.991 -0.668 17.899 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 6.349 -4.824 1.983 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 4.179 -1.702 -16.917 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 9.854 -1.208 14.552 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 -6.209 2.147 -1.716 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -13.176 2.451 7.538 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 22.868 9.334 -7.669 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 4.009 -8.920 0.944 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -11.524 -1.572 3.672 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 26.856 -7.863 -5.513 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 -2.514 -2.110 8.535 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 -7.238 3.540 2.227 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 11.779 -2.359 17.778 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -7.764 -5.849 -4.412 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -10.820 -15.939 -8.163 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -5.976 5.752 -1.791 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 1.330 -6.486 1.400 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -3.350 -9.030 -11.242 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 -8.441 7.730 -10.480 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 6.751 2.101 -4.033 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 20.409 13.139 -11.269 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -3.834 9.313 2.287 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -3.331 -4.654 -6.455 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 1.138 1.534 6.493 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 10.074 -12.381 -6.042 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 -3.677 0.670 1.775 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 -6.282 8.819 -8.438 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -14.794 -9.184 8.330 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 1.956 0.787 4.747 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 -6.062 -4.357 -14.839 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -9.793 -9.523 8.081 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 6.424 -3.144 -1.094 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -16.116 2.623 -13.548 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 1.179 -5.878 28.031 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -0.324 -2.005 -0.019 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 5.438 6.910 -16.137 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 -4.220 -14.257 -8.222 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 -1.466 -7.019 -5.573 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 2.330 -24.314 -26.264 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 -26.128 -11.547 6.026 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 1.586 -5.977 -2.124 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 3.898 -4.009 2.905 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 1.841 -3.398 2.359 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -2.962 -5.626 1.719 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 1.616 -31.840 15.063 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 -5.359 34.559 -3.455 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 7.775 7.771 -0.511 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 -16.476 -9.636 -8.222 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 3.915 7.211 6.953 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -1.308 -2.041 7.478 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -10.580 -9.184 24.761 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -5.158 8.085 -5.989 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 7.571 -3.925 -3.025 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 2.005 0.471 -11.771 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 3.768 0.574 -21.793 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 5.019 -3.439 -5.554 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 7.599 0.101 -9.842 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 11.002 3.656 -13.781 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 -0.707 -5.844 0.350 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 8.440 -2.464 -5.593 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 2.047 4.448 1.528 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 0.682 -1.016 1.428 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 -0.017 0.542 2.821 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -15.401 15.162 -31.835 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 -1.004 -7.437 -1.438 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 -3.803 -2.577 -6.234 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 -0.253 -8.478 -0.944 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 1.167 2.924 3.133 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 10.168 4.176 -5.169 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 8.606 -21.033 37.078 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 5.496 -2.036 -1.526 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 6.892 3.630 -7.278 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -2.364 -8.106 -7.169 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 -1.837 7.078 -1.905 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 11.097 -1.773 10.867 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 4.383 -3.987 -11.372 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -2.554 -3.821 -1.883 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -1.892 -3.060 -0.949 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 -11.148 -4.865 -16.240 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 5.774 -0.142 2.465 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 26.906 25.763 -10.131 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 3.380 6.102 -3.332 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 -6.741 -2.039 -11.132 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -14.062 7.107 -20.046 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -5.581 14.992 8.560 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 -2.661 0.876 -3.505 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 -13.806 -8.043 -10.917 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -16.055 -17.687 -17.986 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -2.504 -1.344 -7.895 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 2.165 -6.412 -13.498 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 -0.351 1.405 -11.726 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 1.689 -2.984 -1.954 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 2.271 -8.084 35.157 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -7.257 -22.732 3.710 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 4.464 0.102 8.522 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 11.688 -6.962 9.926 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 4.115 0.515 8.258 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 0.050 0.177 -4.877 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 13.803 5.578 -6.895 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 2.386 -11.072 3.308 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -3.080 -2.708 5.372 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 -4.842 11.632 -24.107 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -7.487 -7.868 7.386 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 1.342 -3.468 -5.496 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 7.539 -16.013 -16.929 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -10.760 5.299 -0.737 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 -0.379 -2.315 -2.358 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 -9.897 -2.103 -9.066 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 -1.068 -8.826 14.775 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -3.136 5.240 1.756 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -2.881 10.536 -6.753 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 11.104 -9.260 34.506 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 -4.184 3.549 -0.979 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 21.494 -4.189 21.478 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -3.477 27.770 10.815 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 -2.084 -0.387 3.190 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -5.768 8.105 8.530 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 2.600 9.946 -7.871 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -0.060 1.052 5.280 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 1.404 -3.245 2.941 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 8.266 4.035 5.597 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 5.657 -2.318 -3.218 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -6.185 -2.429 7.745 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -12.207 9.968 7.371 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 -0.800 2.712 -2.006 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 -7.086 1.540 21.000 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -1.726 2.300 2.232 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -7.130 -4.576 -3.728 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -18.752 9.430 -3.239 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -7.205 -3.940 9.154 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 -1.210 -0.334 -7.989 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 1.527 17.828 9.182 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 0.268 2.349 7.939 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 1.193 -7.221 6.803 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 13.827 -7.346 1.393 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -1.646 -21.189 -0.058 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 1.707 5.679 -2.570 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -9.743 -1.166 1.206 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 10.544 12.722 -17.228 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 -4.457 -2.622 1.437 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 3.125 -11.409 11.250 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -7.998 -3.668 9.316 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 -4.287 3.189 -0.608 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -14.739 11.401 21.936 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 -6.853 8.963 3.224 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 4.331 4.689 0.149 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 7.710 6.924 -0.489 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 14.309 4.769 3.074 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 -0.585 1.195 -2.810 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 2.153 -24.839 9.207 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 -27.206 -3.776 -20.406 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -2.038 -1.793 -1.157 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -12.266 -6.843 10.365 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 -1.577 -6.565 -12.520 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 1.026 0.333 -1.629 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -22.680 12.754 8.271 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 17.360 -19.609 2.611 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 2.796 -1.561 -0.581 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -7.397 -11.164 -2.476 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 -8.513 4.953 31.217 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -0.808 0.851 2.946 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 10.314 4.138 -4.235 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 23.319 4.291 5.067 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 2.087 -2.653 4.235 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 -7.407 -20.864 -3.050 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 10.280 8.882 23.193 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 4.947 1.322 -2.783 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -22.109 -29.242 -20.896 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -20.590 18.295 13.217 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -2.671 -3.126 -5.918 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 7.957 -22.084 7.162 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -3.135 5.605 -3.492 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -4.042 -0.057 1.863 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 -2.731 -4.371 -11.884 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -6.352 -1.907 5.717 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 0.852 -0.471 1.312 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 10.659 -6.706 -2.305 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 -10.997 10.672 1.898 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 2.778 -2.284 -1.970 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 -32.013 4.376 -17.161 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 4.153 -22.905 2.454 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 1.154 -1.421 -0.470 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 16.540 -29.907 -1.093 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 11.211 15.014 -6.790 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 0.424 -2.332 2.707 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 -6.913 -4.435 -4.846 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 -4.516 -3.993 -2.396 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 1.511 -5.090 -0.777 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 6.733 8.010 2.687 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 14.851 0.336 -21.647 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 2.035 -7.096 0.266 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 3.540 -3.835 -1.699 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 1.325 2.578 -1.867 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 0.264 -0.474 -3.721 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 -16.871 -1.487 3.814 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -26.611 7.951 11.263 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -7.676 4.547 4.945 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -14.356 21.208 16.397 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 9.873 4.447 -9.789 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -0.314 0.986 -4.193 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 -9.861 -3.787 -0.285 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 7.596 9.507 -22.313 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 -1.660 -5.647 -0.734 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -8.353 11.782 6.706 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 -2.738 -1.297 3.713 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -2.963 -4.172 1.816 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -25.026 -6.027 23.955 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 10.979 1.564 -8.771 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 -0.109 -7.228 -0.274 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -8.663 4.106 2.807 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 -2.729 -5.095 -3.084 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 4.537 2.096 -2.426 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 -13.380 -15.835 -3.650 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 27.949 20.982 0.207 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 3.997 -0.666 3.058 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -5.033 -12.552 2.174 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 -2.319 -0.529 22.416 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 5.708 3.529 1.813 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 7.727 3.987 -5.874 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 7.985 -7.147 21.074 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 1.744 -7.712 6.790 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 12.514 -18.112 -12.999 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 9.093 -9.297 -11.679 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 -2.007 -9.419 -4.024 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 16.149 7.930 -21.086 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 21.961 2.849 11.977 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -2.402 -6.205 2.297 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 -1.119 1.860 -8.743 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 -3.602 -11.816 10.462 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -3.108 -3.136 -5.372 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 -7.719 -3.958 -2.346 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 -5.082 -10.414 2.085 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 -2.237 -4.904 -2.650 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 0.939 -19.022 26.089 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 5.682 3.168 -14.759 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -8.164 -1.069 1.134 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 12.857 -4.170 4.385 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 2.165 3.356 0.609 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -4.409 -2.505 0.828 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 9.510 10.210 7.092 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 -25.571 -9.426 -19.392 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -0.956 -1.244 3.566 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 9.453 5.706 -10.161 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -7.134 25.584 -11.239 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 -1.230 -7.110 3.219 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 -4.654 4.165 -2.046 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -5.208 -12.313 -7.244 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 -3.269 -0.843 -4.007 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 -7.504 20.405 0.744 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -16.585 10.877 -8.748 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -7.586 1.500 4.079 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 -5.278 15.224 -2.431 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -26.202 44.784 6.119 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 -1.471 -7.962 4.491 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 2.345 -17.155 -3.471 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 6.290 -28.257 -13.613 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 -6.277 1.410 1.930 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 10.665 -8.168 -2.667 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 -19.639 -8.959 -9.459 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -4.220 -1.258 -6.166 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 3.389 18.572 -8.526 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -22.667 -20.459 21.529 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 -0.011 -2.147 0.063 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 17.573 1.114 -8.632 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 15.102 19.001 1.273 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -1.280 3.613 -1.250 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -8.541 12.464 -8.561 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 7.898 -8.458 4.184 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 -11.070 -5.082 2.704 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -18.992 4.958 10.530 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 2.934 7.752 -2.910 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 0.134 2.969 3.638 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -15.725 10.919 12.754 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 5.455 15.213 -11.542 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -2.173 -5.480 -1.211 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 3.221 4.667 -1.761 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 10.777 0.418 -14.848 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 -10.008 2.780 0.207 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 25.077 -4.297 16.730 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 21.316 1.782 7.233 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -4.650 -0.915 -2.526 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -0.021 7.634 -15.966 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 25.828 -4.129 -17.250 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -7.540 -1.610 -4.148 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 5.308 5.519 3.504 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -5.221 -10.278 -9.058 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 1.954 0.037 2.636 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 0.634 6.889 0.207 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 9.542 7.819 -2.680 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 6.136 -4.347 -1.870 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -3.074 12.989 -2.958 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 20.041 1.256 18.130 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 -0.760 0.692 5.653 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 8.859 18.879 7.809 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 4.417 10.203 6.763 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 5.712 3.257 2.484 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 25.645 -6.556 2.632 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 -22.291 16.189 3.783 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -3.357 4.059 -4.322 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 13.137 -2.932 -7.933 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 -8.583 1.330 -11.971 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 1.006 0.351 0.765 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 2.243 -3.912 10.694 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -14.316 5.773 -11.460 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -3.114 2.809 -4.412 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 -8.667 12.156 -13.502 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -16.124 -12.624 -6.410 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 4.523 -0.307 -4.082 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 7.729 -1.735 -3.996 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 -13.281 18.238 1.582 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 -1.769 -1.166 2.270 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 7.380 5.189 12.965 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 0.862 21.626 17.945 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 -6.043 -1.473 1.403 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 4.632 0.615 -3.215 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 12.959 -6.772 23.751 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 1.252 4.968 0.394 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 -0.986 24.861 9.533 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -0.872 1.610 13.458 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 0.456 3.041 -0.018 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 4.778 -9.179 3.941 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 -3.236 -9.463 23.741 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 5.268 0.056 -1.326 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -2.428 14.611 -2.804 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 17.049 9.725 -9.236 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 -2.979 5.276 -4.301 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 6.095 10.748 -26.834 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 -7.909 3.362 0.874 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -6.007 5.066 -1.897 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 -27.078 10.097 -4.249 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -2.643 6.928 19.840 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 8.450 5.387 -2.200 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -1.322 4.674 -19.293 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 10.829 17.228 8.601 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -0.521 -3.162 -2.322 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 -11.303 -3.777 6.235 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 10.981 6.917 -10.284 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 9.573 -1.899 -5.846 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 -22.746 23.402 -7.373 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -4.006 13.018 -16.579 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 2.349 -1.022 1.679 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -0.239 13.721 0.273 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -2.290 -2.904 15.726 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 3.001 4.454 2.899 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 10.277 5.796 -5.159 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 3.114 -11.770 -1.073 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -4.772 8.704 3.934 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -21.590 -15.407 -13.757 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 0.747 1.013 6.289 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -6.028 3.955 0.286 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -21.029 -9.815 -8.519 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -1.243 -7.951 -1.912 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -1.074 6.343 -1.744 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -17.223 -7.394 -3.040 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -11.064 1.274 1.745 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 3.061 5.973 5.123 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 17.780 4.613 0.361 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 13.458 5.324 1.505 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 -1.041 9.529 2.224 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 -10.414 -15.320 27.232 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 9.064 14.696 4.159 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 -0.609 -1.609 -1.849 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 -17.269 7.966 -17.521 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -6.988 -17.968 -15.685 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -4.309 3.116 -2.512 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -7.505 -9.797 -14.966 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -7.938 18.168 -11.550 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -8.470 -2.850 1.673 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 -3.167 -2.221 7.016 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -11.321 -7.836 -8.835 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 5.497 2.546 1.310 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 -3.238 -17.373 -0.439 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -5.427 3.629 -8.863 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -1.501 6.151 9.623 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -7.694 5.011 -10.011 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 17.618 -0.554 9.207 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 -3.600 4.959 1.954 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -0.147 0.422 17.845 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 -0.971 8.793 -8.648 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 7.817 4.308 3.447 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 -7.311 1.318 4.327 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 10.544 -1.954 -10.267 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 -0.239 1.318 1.828 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 15.127 4.807 -9.179 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 6.818 -2.613 -0.643 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 -1.666 5.495 -3.253 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 -11.049 -4.548 -32.926 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 13.085 4.180 13.911 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -1.347 3.500 0.294 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -1.479 -8.328 -7.820 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -15.742 6.778 -0.300 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 6.902 -0.814 2.097 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -11.321 -3.772 -21.702 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -1.870 -1.608 12.213 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -3.662 -11.241 3.023 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 -15.617 -31.376 25.382 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 -11.824 -10.029 23.977 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -5.474 -5.562 -4.558 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 3.140 -6.430 -3.054 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 3.935 -6.303 -3.350 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 0.006 -4.151 1.545 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 -4.536 -6.278 1.874 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -0.282 -3.738 15.864 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 3.025 -2.342 1.171 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 24.355 -15.754 -6.711 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 -9.682 -12.698 34.950 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 1.855 6.543 -7.120 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -16.305 36.862 -0.988 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 -0.519 22.000 -6.471 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 -2.842 2.871 -3.557 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -6.639 0.802 9.109 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 -7.133 4.448 -1.429 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 -1.174 -2.287 2.928 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 -15.748 -5.570 -6.153 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 -2.027 -13.082 -3.575 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -5.305 -0.831 1.402 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -9.701 -2.468 -1.793 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 -21.768 7.721 13.163 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 2.258 2.309 -5.262 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 26.295 -12.591 7.067 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -5.903 -12.043 8.867 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 3.135 1.206 1.987 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 12.448 20.329 10.652 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 -5.358 4.888 -15.688 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 -2.652 2.048 1.150 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -4.267 -10.154 -2.482 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 5.968 0.011 1.355 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 1.880 -0.276 -1.267 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -11.168 -12.326 -16.676 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 29.324 -4.063 -3.234 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 -2.829 1.386 0.008 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 1.108 -8.488 -24.877 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -16.126 -26.422 4.536 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 7.950 3.067 3.843 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 13.695 1.236 6.424 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 4.668 4.330 10.237 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 -5.360 9.415 0.376 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 -2.663 -0.125 1.684 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 0.105 -2.432 6.199 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 -2.626 -3.141 1.281 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 -1.799 0.742 -12.820 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -2.923 -4.316 5.254 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -4.716 -6.825 5.813 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 3.859 -4.696 4.773 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 -11.941 -10.178 7.605 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 1.403 -0.650 0.536 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 0.146 5.879 -5.324 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 9.789 16.837 34.589 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 -8.951 2.495 9.424 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 5.578 -8.152 -12.392 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 16.582 19.236 -8.593 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -7.836 0.460 -1.305 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -5.105 -8.266 -8.393 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -19.315 -9.917 25.909 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 -3.297 6.181 -4.100 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -18.366 -3.898 -4.872 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 6.328 -6.397 -15.919 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 -0.265 -2.330 6.566 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 -20.192 30.515 -21.531 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 0.519 -15.867 -8.551 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 0.990 -2.137 -1.382 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -8.710 21.591 -9.567 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -4.702 12.614 -0.888 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 -0.044 -2.438 0.939 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 -17.413 36.953 -0.853 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 -1.424 -12.627 -13.994 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -1.565 0.145 -5.958 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 1.568 11.418 -2.528 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -1.536 4.045 -15.604 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -3.460 0.364 -8.980 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -5.446 1.890 -9.645 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 1.650 5.448 11.331 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 2.522 4.810 6.257 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -4.488 7.110 -11.248 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -1.957 -13.751 11.463 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 2.709 -0.449 -2.326 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 11.845 6.006 2.110 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 10.736 8.700 3.367 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 -0.691 4.233 -3.067 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 -0.666 6.012 16.139 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 -4.816 9.393 6.246 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 -4.336 1.972 -2.768 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -2.560 10.382 -14.390 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 12.645 5.820 -24.309 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -0.745 -0.185 1.125 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 22.851 9.141 -13.862 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -5.800 -29.450 -7.266 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 2.488 2.914 0.585 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -1.098 2.120 -1.725 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 12.444 8.723 -2.961 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 2.200 1.408 5.389 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 19.978 4.506 -7.771 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 -6.077 12.678 -3.596 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -1.795 2.503 -0.918 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 12.899 6.986 -5.331 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 2.184 12.173 0.559 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -1.775 5.260 3.109 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -16.015 -10.550 24.432 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -11.659 -9.649 26.639 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 -2.220 0.189 -2.668 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 -14.776 -1.518 0.688 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 4.954 0.133 11.083 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 -7.194 -1.607 -8.022 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -12.945 15.511 -3.186 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -6.397 -7.902 -5.134 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 -1.228 -2.550 -4.290 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 -1.252 -7.050 -0.946 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -1.343 5.408 -14.210 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 -0.916 -1.180 1.811 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 4.147 -2.125 5.201 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 -4.338 1.129 5.760 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -0.674 -5.440 -0.127 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 5.536 2.991 3.362 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 -10.198 -15.442 -9.337 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 2.019 1.244 4.208 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -4.343 -15.175 -10.357 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 23.988 15.771 6.430 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -2.189 -1.800 -4.236 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 -0.026 1.549 -26.857 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 1.944 -1.703 -16.492 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -5.386 3.270 2.664 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 1.235 8.721 -7.724 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 3.624 16.782 -15.875 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -3.932 -2.032 -10.168 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 -14.704 5.569 -13.565 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 12.014 -2.058 -11.889 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 -2.490 8.363 4.676 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 36.317 -11.660 -21.611 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 -15.861 14.081 11.533 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 0.782 2.205 -6.877 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 2.437 -0.287 -14.727 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -8.266 7.934 33.534 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 -5.879 2.144 2.288 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 14.088 -2.647 -6.016 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -4.990 -1.206 21.615 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -2.719 2.162 -3.285 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 12.195 8.835 4.489 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -12.066 -1.528 -27.057 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 4.597 -0.932 -2.737 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 9.759 17.077 -0.374 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -2.002 -4.429 6.716 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 -3.811 -1.917 -1.108 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 7.799 20.252 -8.082 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -5.356 6.744 0.062 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -2.638 -1.025 2.157 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 -18.798 -0.794 -10.533 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 8.983 2.550 1.849 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 0.733 6.499 -1.744 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 3.553 13.914 -7.095 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 14.770 -7.956 14.059 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 6.422 8.203 -1.528 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 -2.968 0.137 -8.516 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 3.202 26.482 -23.239 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 2.407 7.164 -4.094 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 1.711 4.561 -10.594 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -4.622 15.347 0.265 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 2.812 -0.949 -3.318 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 -7.152 -0.255 4.562 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 5.835 -2.848 1.700 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 -5.046 3.745 -2.385 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 -18.557 -14.427 13.359 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -9.947 13.771 20.996 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -1.145 1.169 -6.058 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 -11.222 -12.553 -10.172 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 8.086 3.296 -11.050 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -13.271 3.288 3.072 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -8.318 -8.777 -1.393 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 -6.648 -20.304 18.257 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -3.777 -8.794 -5.074 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -3.579 -10.129 -7.898 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -13.794 -10.837 -4.682 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 4.933 -0.149 2.376 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 2.829 -8.859 -1.156 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 6.868 -0.948 -25.623 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 -1.963 -5.374 1.761 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -17.105 9.046 26.962 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 9.686 -13.348 -16.078 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 3.315 -2.022 -5.557 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 -3.169 7.735 -17.340 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 4.807 -3.349 0.209 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -2.783 5.349 1.242 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -8.408 12.205 -2.663 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 -6.316 10.654 -7.149 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 1.732 4.027 -6.552 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 -12.949 6.378 -3.046 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 6.154 -8.688 1.792 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 -1.576 2.430 -0.024 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 16.918 -5.073 7.948 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -3.809 -12.361 -9.945 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 1.832 7.467 -3.672 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 9.798 -11.757 5.338 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -1.436 -18.570 -15.125 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 3.098 -4.202 -1.591 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 9.677 -0.454 3.616 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 -11.446 -8.855 -2.298 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 -7.548 6.437 -4.455 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -19.594 -2.992 -1.875 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 -2.035 8.858 7.402 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -0.227 0.994 5.341 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 -15.391 -17.011 -5.731 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -10.290 -5.133 2.951 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 -1.894 -1.116 -2.121 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -3.408 -4.693 -7.868 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -15.597 -5.458 -7.886 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 1.108 2.126 4.508 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 5.912 6.725 6.383 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 24.496 3.287 16.753 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -0.342 -2.329 -9.264 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 -1.403 -0.746 -8.565 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -10.631 -7.021 3.017 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -5.593 -2.532 1.808 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 0.300 0.936 14.037 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 7.483 29.916 7.977 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 0.603 4.202 4.891 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 9.647 18.504 7.541 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 -1.476 -2.970 2.087 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 -5.075 3.099 3.305 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 -17.379 39.227 -5.843 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 -34.230 4.401 -3.947 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 4.523 1.959 3.291 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 -4.053 1.315 10.479 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 -33.911 20.693 -9.815 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 0.649 -5.168 -3.764 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 18.780 5.750 19.420 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 9.058 -9.979 -4.559 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -0.350 -8.482 3.147 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -13.823 2.036 -5.600 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -7.561 -11.823 20.761 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -0.336 -0.027 -5.673 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 7.595 9.223 5.114 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 7.991 -4.218 0.263 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 2.328 3.868 1.512 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -0.530 -14.502 7.857 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 5.233 -7.115 -27.941 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -0.667 4.499 -6.590 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 0.585 5.902 -8.052 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -8.753 9.211 -10.090 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 0.483 -3.147 -2.536 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 -5.556 -29.166 -10.698 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 6.873 6.365 -5.956 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 0.958 4.508 -5.407 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 6.209 -10.436 2.583 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -11.436 2.435 -16.029 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -8.142 -4.320 -4.463 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 -3.924 -14.560 -13.965 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 -19.657 4.657 -21.745 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -3.374 6.373 -3.784 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -1.937 22.532 11.037 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -15.937 -5.291 -7.577 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 -6.829 3.364 -5.128 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 3.189 -1.733 0.041 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 15.585 -3.875 4.686 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 5.303 -1.907 -0.014 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 1.230 -19.811 10.945 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 -6.060 -3.825 -5.817 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -1.368 -0.017 0.109 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 5.581 21.339 -16.336 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 6.995 10.369 4.675 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 0.231 -4.575 -2.186 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 8.978 6.443 5.277 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 11.230 7.913 5.762 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 0.370 -0.174 1.301 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 -0.638 -8.325 -2.422 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 1.040 -2.638 -4.990 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 4.633 7.466 0.703 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -4.866 0.635 9.856 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 13.311 -5.502 -15.608 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -0.874 -4.319 0.901 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -4.057 -13.463 -1.485 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -21.968 -1.020 -15.335 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 5.049 1.487 -2.433 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -1.894 15.890 0.606 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 17.517 0.082 7.206 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -1.924 -2.553 -1.876 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -0.806 -1.519 -8.433 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 -2.534 -1.289 -13.207 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 4.582 -1.817 3.240 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 3.018 -3.107 2.596 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -5.532 -6.567 -4.248 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 1.311 1.846 -0.183 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 -2.399 -16.233 -7.523 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 0.030 10.061 4.794 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 4.037 3.557 -2.236 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -0.801 -1.065 10.818 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 1.280 -5.807 28.927 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 5.008 0.958 -4.585 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 -2.180 27.516 -5.406 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 3.425 -30.801 10.710 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 6.927 3.255 -0.771 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -13.423 2.545 -0.830 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 -4.712 1.076 -3.133 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 0.870 0.620 -0.046 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 5.516 1.912 -18.747 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 10.068 -19.525 3.594 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -4.135 -6.428 4.116 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 14.701 -21.354 -0.234 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -23.623 3.338 -14.205 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 0.812 3.477 -1.827 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -23.230 1.577 3.306 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 10.220 17.530 8.755 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 0.279 -1.749 -5.007 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -6.999 -7.386 -7.504 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 7.247 5.344 0.139 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 1.120 2.445 0.487 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 4.970 2.115 -9.922 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -26.930 -17.088 -13.361 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 -2.541 -2.885 6.517 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 -15.352 8.953 -3.499 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 1.530 -15.890 8.089 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 2.115 1.034 -7.450 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 -9.042 -13.161 0.207 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -12.576 -6.044 2.547 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 4.134 2.746 2.401 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 8.335 3.855 4.206 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -9.412 -3.585 6.299 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 -6.702 -1.002 0.412 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -5.721 3.254 15.692 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 2.350 8.209 -3.884 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 0.797 1.302 -5.767 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -4.823 14.405 -4.491 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 8.798 5.892 -14.464 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 -2.937 -2.581 5.848 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 -16.117 0.134 -7.396 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 16.660 5.962 9.280 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 4.057 -0.216 -2.275 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -1.444 -0.429 -26.773 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 5.611 5.104 2.562 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -0.142 3.055 -2.120 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 5.923 6.467 2.373 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -4.040 12.593 -14.735 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 -7.988 0.959 1.535 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 -34.680 -16.754 -4.885 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -14.473 2.579 13.979 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -0.746 2.712 -7.562 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -15.069 0.275 -22.720 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -13.070 0.814 7.933 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 -0.710 -0.909 -0.886 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 -4.980 6.168 -2.347 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 3.542 3.484 -0.482 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 1.414 1.698 4.158 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 34.107 0.934 -6.954 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 -9.305 -6.516 1.300 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 3.702 -1.598 -6.689 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 22.064 -4.880 0.955 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -4.472 19.046 2.171 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 -5.320 -3.428 6.903 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 -9.150 -1.594 0.980 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -7.983 -3.608 6.572 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -6.303 1.010 0.712 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 0.615 11.457 -5.415 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 2.907 -8.534 -1.293 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 5.220 0.055 0.091 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 12.866 -6.652 0.967 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 10.006 9.595 2.366 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 -4.851 -2.103 8.837 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 20.507 16.336 -2.867 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 15.024 11.037 0.885 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 0.382 -3.739 6.847 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 -9.803 -4.372 5.594 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -1.573 0.971 -0.489 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -1.732 0.993 2.724 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 -7.781 -1.565 7.072 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 -4.132 -14.458 -5.319 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -4.449 -1.034 -4.219 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 15.780 -1.435 -6.873 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 3.179 -2.002 2.353 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 0.560 5.584 4.419 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 -5.951 7.065 17.325 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 2.966 -6.438 0.165 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -3.678 -7.454 0.621 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -16.243 6.648 2.576 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 5.083 -18.735 -2.378 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 0.766 -1.238 -5.601 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -0.671 10.399 -49.098 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 20.995 -3.838 -19.480 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 -0.976 1.764 -3.197 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 1.448 -6.119 -0.590 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -5.143 18.255 -8.211 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 -2.488 -1.861 4.148 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 0.740 8.294 21.446 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 4.398 13.791 -4.853 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 0.210 3.065 -2.600 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 2.287 31.471 18.925 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 6.176 4.405 -5.968 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 -3.688 -4.531 1.102 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 11.616 5.796 -6.577 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 -21.501 14.525 -18.289 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 4.038 5.189 4.228 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -0.469 19.241 2.243 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 2.186 12.995 0.842 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 5.147 -3.700 -1.889 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 0.261 -0.314 -24.013 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 0.472 -3.786 -3.943 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -7.430 -0.651 0.753 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 7.305 -0.910 -4.170 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -20.589 23.770 -11.903 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 -4.885 -0.756 -3.218 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 5.478 -7.161 3.789 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 15.744 -11.042 -2.852 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -2.979 -1.769 -1.586 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -16.023 4.732 -24.736 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 20.501 5.184 9.810 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 -1.740 -5.117 0.819 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 -12.026 3.899 -1.166 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 -1.378 7.951 -6.857 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 -1.633 -7.502 -2.699 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 -7.826 -14.827 7.412 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -2.511 11.683 0.238 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 5.645 6.071 -2.011 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 6.549 8.244 -4.029 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 4.846 5.204 1.866 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 5.886 -7.310 2.466 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -9.953 -17.614 -11.003 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -1.471 -26.802 -6.097 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -6.832 1.059 -2.714 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 6.786 -7.766 -5.286 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 -10.163 14.157 11.951 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 -1.228 3.777 -0.144 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 7.009 11.679 -17.580 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 0.864 8.716 13.051 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 -7.833 -3.432 -0.508 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -2.712 4.330 -6.799 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 -9.659 -20.258 -7.562 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -4.821 -2.421 8.413 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -3.957 11.160 6.299 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 -13.031 -26.293 5.260 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 2.212 1.986 0.788 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 -14.060 -14.447 5.021 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 2.878 23.446 -8.326 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 -5.175 -1.688 1.973 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 -3.021 0.574 5.095 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 2.235 -0.580 2.515 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 0.547 4.075 1.444 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 2.959 3.400 -0.011 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 13.144 -0.206 -17.150 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 0.209 -0.301 -1.826 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 -5.227 -1.465 -7.470 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -12.284 -2.072 -14.743 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 6.118 -2.686 -2.979 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 3.902 -22.474 5.054 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 8.401 -10.643 -12.085 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 0.982 -0.176 -0.100 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -10.657 2.334 -5.124 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 1.691 -6.543 -0.730 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 -6.990 -5.065 1.620 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 -5.206 0.287 8.017 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -8.045 0.868 -5.034 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -5.130 -1.550 5.140 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 -3.319 0.820 0.536 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 -21.397 9.057 5.949 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 -1.052 0.169 -10.063 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 0.495 1.804 2.706 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 2.533 9.298 1.311 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 4.527 5.281 -2.560 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 16.667 22.548 0.407 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -10.484 14.149 2.705 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 1.209 0.179 -4.274 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -2.597 9.644 -19.634 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 0.532 -1.063 -1.760 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 3.706 -2.169 -13.413 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 6.387 -3.350 -12.269 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 13.740 7.223 -11.866 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 3.890 -1.483 -0.715 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 17.687 -21.353 -2.249 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 -1.721 2.506 -22.089 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 7.203 -3.359 -9.072 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 17.727 -12.929 -9.709 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 2.947 2.969 -1.057 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -0.431 -0.181 2.645 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 32.261 -50.490 -1.222 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 -12.374 24.742 -14.067 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 0.374 1.786 7.226 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -14.216 -0.698 13.219 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 9.197 -10.142 4.224 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -8.647 0.802 -4.292 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 11.779 -4.795 -18.860 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 -5.886 -3.219 18.403 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 3.391 5.705 8.451 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 2.869 11.410 8.990 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 4.705 -7.812 6.713 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 -3.636 1.779 -7.363 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 2.299 1.751 -1.243 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 0.558 0.678 -4.185 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 -3.633 2.345 6.800 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 2.114 2.631 3.394 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 8.032 -14.878 6.089 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 -3.034 -0.973 1.751 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -28.969 -1.019 -4.808 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 3.256 -22.763 -14.037 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -1.387 -8.840 -2.130 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -4.218 -12.145 -13.201 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 -2.391 1.122 11.131 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 1.727 0.469 -4.052 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 -2.123 8.057 1.572 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 3.373 6.061 2.558 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 3.241 1.967 1.614 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 -0.155 -3.919 4.415 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 2.823 -2.411 -2.153 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 7.556 -0.013 2.528 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 19.557 10.387 -6.906 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 15.150 -18.136 3.636 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 -0.403 0.696 2.384 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 -19.529 15.368 -0.874 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -2.456 -5.193 4.144 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 -0.479 0.790 1.062 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 -8.504 0.671 8.526 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 29.808 -4.096 26.541 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 -0.360 2.609 3.728 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -0.574 6.759 0.807 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 -3.705 1.184 -2.937 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -5.454 -0.736 3.055 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 17.824 9.436 5.624 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 5.180 -14.420 -8.760 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 1.617 -0.246 3.832 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -5.125 -2.990 7.882 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 10.594 -11.017 -2.904 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -4.042 2.830 0.153 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -18.926 18.354 0.469 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 11.938 11.081 -12.841 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -2.643 -0.533 -1.716 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 -3.966 -9.583 -0.668 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 6.141 2.821 11.151 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 9.062 -4.180 -3.665 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -3.622 -5.686 -1.593 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 -9.313 14.163 -9.478 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 1.478 1.479 0.731 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 -4.463 8.305 1.375 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 -5.099 8.852 1.372 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 -3.732 0.534 1.593 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 2.923 -6.716 2.680 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 -10.084 -8.667 12.729 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 -5.187 5.087 0.291 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 7.539 -14.185 18.125 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 -1.820 -2.457 10.432 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 -1.090 -2.631 3.560 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 12.095 15.590 -5.421 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 23.522 -30.503 -8.604 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 10.307 0.180 -3.513 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 4.036 20.303 -10.228 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 13.040 -10.705 -22.997 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -4.941 1.899 -2.010 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 -6.740 4.169 10.873 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 27.711 -6.919 -4.833 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -3.515 -6.000 1.013 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -16.907 -3.621 8.517 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 7.350 -12.868 7.239 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -3.175 -3.628 -7.916 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 5.432 -5.001 0.029 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 14.709 -11.581 -8.357 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 -4.132 -1.330 -5.056 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -11.511 -1.742 -8.509 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -0.402 4.536 -12.144 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 1.088 0.265 -6.402 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 -11.447 10.431 -3.479 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 -3.371 15.594 -38.302 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 2.076 1.704 1.905 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 -0.966 -12.517 4.915 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 3.158 -9.989 3.839 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 -1.869 2.074 -3.915 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 -11.531 -7.210 -11.010 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -4.226 -3.672 10.820 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -2.188 3.873 3.787 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 0.043 24.300 10.495 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -10.443 -10.299 19.138 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -4.278 -0.589 3.585 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 8.720 -3.296 3.793 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 -3.073 -22.552 4.655 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 4.153 1.923 -2.932 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 13.020 -11.835 13.826 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 -7.661 22.362 -10.895 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 0.700 -3.680 0.048 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 0.305 6.373 16.405 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 24.479 -28.983 -6.958 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -5.644 -5.001 -4.140 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 -13.499 -1.738 15.262 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -8.472 -0.234 11.489 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 -2.701 1.491 5.493 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 17.522 13.916 -2.656 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -0.684 -0.826 17.396 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 2.744 -0.597 -0.089 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 14.652 -10.533 -3.590 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 21.765 -15.075 -2.346 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 -4.351 5.470 -2.372 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 8.633 -23.999 -4.841 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 -1.823 -21.919 2.023 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 3.469 -2.603 2.517 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 3.763 -2.237 6.693 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 -18.519 -11.309 -9.136 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 7.409 -0.289 -7.792 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 9.358 -8.951 -0.506 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 -15.901 0.073 0.917 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 -1.662 1.711 -7.259 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 2.180 5.159 6.208 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 3.069 2.749 -9.337 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 -1.645 -3.655 -1.562 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 -5.738 -12.353 -9.907 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 28.284 22.986 23.701 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 3.082 -8.334 -0.742 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 2.093 -8.151 3.540 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 17.943 -6.221 16.372 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 -1.457 0.745 3.800 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 2.303 -7.026 20.335 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -20.918 -2.674 -2.325 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 3.247 0.838 0.881 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 -2.658 3.443 6.170 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 8.000 -3.335 13.418 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 -0.877 0.199 9.643 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 0.760 -16.389 -2.816 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 5.127 5.534 -0.517 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 0.380 -6.609 -2.420 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 0.952 9.414 -14.952 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -16.289 -6.092 4.173 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 1.999 0.605 5.621 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -6.013 -2.976 1.193 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 6.531 1.752 11.931 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 2.518 -3.535 0.280 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 0.117 -8.591 -7.836 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 -0.168 -10.020 5.653 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 1.807 0.925 1.369 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 2.971 6.609 -20.676 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 0.403 0.456 9.350 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 -1.045 -1.389 -0.585 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -17.697 -9.182 -5.033 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 -13.618 1.007 -1.513 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 3.381 3.367 -0.940 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 0.769 -4.988 5.222 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 9.450 -3.410 17.866 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 -5.302 1.664 0.108 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -13.780 1.109 12.002 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -12.615 -21.045 -3.465 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 -3.508 -0.945 -1.687 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 2.023 0.672 6.010 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 -3.734 -6.572 22.685 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 4.848 1.514 -0.820 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 13.694 -7.594 -3.677 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 -11.917 -6.066 9.394 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 2.996 -3.272 0.171 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -16.488 -4.840 -19.581 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 -44.351 -19.579 -7.019 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 -2.963 -0.612 -0.918 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 5.828 4.109 8.611 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -7.511 -3.595 -6.227 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 4.515 -6.292 -0.692 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -3.844 -3.946 -4.922 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 2.357 -14.622 0.281 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 2.296 3.141 -4.943 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 -10.209 3.301 -25.714 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 0.105 -7.506 -2.804 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 -2.761 5.998 -0.128 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -20.243 4.635 -7.829 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 0.214 10.514 10.433 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -4.032 2.788 2.257 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 -3.926 -5.842 -4.047 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 11.118 -0.045 2.595 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -7.032 1.583 -1.967 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 -5.542 14.637 7.929 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -6.751 -1.228 -4.144 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 0.884 -6.420 -0.192 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -3.206 -17.127 -2.942 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -1.942 8.181 -7.565 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 -6.101 -0.015 -5.253 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 2.305 -2.605 9.390 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -1.832 -9.004 -9.745 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 3.147 1.854 -1.708 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 -7.549 -7.815 -0.226 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 -4.407 -5.049 -2.016 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 1.651 -0.571 2.112 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -17.919 9.810 -11.929 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 2.980 -26.602 10.531 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -1.408 1.557 -1.348 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 -26.175 -8.249 10.866 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -9.884 11.553 -3.137 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -1.166 0.304 0.896 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 2.868 21.457 2.479 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -30.217 -12.843 -12.763 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 2.032 1.519 -1.751 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 -0.307 0.788 5.295 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -1.568 -5.364 23.504 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 3.899 -5.790 -2.477 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -1.081 -10.323 -5.077 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -0.319 -15.806 0.061 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 1.690 -4.423 1.715 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 13.855 -6.581 19.558 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 1.830 -2.713 21.096 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 4.297 11.875 4.840 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 -8.807 -19.088 9.845 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 11.622 22.418 3.422 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 -1.889 -7.497 -9.036 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 -12.064 -3.723 -16.958 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 1.506 -0.449 5.033 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 0.988 -2.339 -10.664 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 23.354 27.758 -10.932 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 4.134 12.455 -2.537 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 4.970 6.157 -3.942 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -0.383 5.434 -4.105 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 1.874 -4.938 1.464 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 3.982 0.037 -1.838 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -1.963 3.502 -7.385 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 1.523 2.671 0.342 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 0.025 -1.586 1.915 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 -9.996 -4.472 1.640 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 36.810 -18.410 19.595 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 -4.281 -5.104 -3.366 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 0.328 15.461 -10.858 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 -11.213 -9.353 4.209 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 1.355 -3.953 3.079 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 -3.429 -18.470 -52.641 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 3.211 4.360 3.667 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 -2.293 -3.082 2.659 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -14.092 -3.112 -27.115 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 24.129 2.074 3.483 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 0.201 -1.103 -2.380 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -21.122 -15.323 -7.180 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 30.525 18.607 1.433 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -1.875 -0.073 6.257 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 -8.444 -19.411 7.615 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 9.660 -31.174 17.599 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 4.824 1.875 -0.277 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 5.800 19.525 11.255 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 12.339 -12.915 12.376 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 7.582 -1.016 5.271 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 5.810 -6.425 14.891 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 3.740 -59.055 3.450 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 4.942 6.578 4.828 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 -7.227 11.798 11.795 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 9.093 15.612 -5.690 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -9.603 -2.632 5.071 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 -3.571 -0.489 13.098 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -15.871 -5.736 6.221 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 8.302 -0.190 -5.036 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 9.531 -2.970 -6.534 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 8.870 9.652 0.402 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 1.886 5.353 -3.077 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -0.842 -11.162 4.833 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 18.863 -3.576 15.991 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 0.406 9.936 5.441 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 -7.737 8.522 2.056 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 -10.698 -10.508 -1.425 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 0.822 5.312 -0.064 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -3.430 4.346 -18.761 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 11.660 -11.746 6.322 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.151 6.171 -5.544 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 7.375 2.583 3.154 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -1.441 -0.523 -22.174 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 -0.849 -1.461 1.393 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -12.053 -7.241 -7.041 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 -12.317 17.441 8.164 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 -5.734 2.390 -2.014 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 15.926 -9.908 -9.875 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 2.640 -2.529 9.747 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -1.183 3.907 -1.148 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 -12.274 -4.941 -29.303 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 10.560 2.096 13.971 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 2.093 -4.615 0.276 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -21.814 -1.855 34.272 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 8.229 14.660 -29.569 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -2.441 1.036 -2.379 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 2.369 19.935 -25.220 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -7.209 -14.008 12.055 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 6.966 -6.534 6.885 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 5.203 -7.082 -13.268 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -8.394 -8.867 13.169 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -0.552 3.788 -6.707 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -7.175 17.322 13.151 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -14.416 19.326 -4.500 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -2.706 1.169 3.571 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 -3.984 -6.575 3.767 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -1.090 0.349 2.171 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 2.649 0.999 -1.714 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 4.068 -10.102 16.837 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 2.738 3.566 -5.066 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -5.439 3.699 -2.599 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 -0.013 0.632 1.782 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -11.041 0.250 3.296 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 0.622 5.243 9.106 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 8.926 7.852 -5.611 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 16.855 -4.039 31.022 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 -1.001 -2.248 3.910 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 -3.229 7.478 11.900 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -9.938 -8.965 0.385 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 2.212 -5.253 -3.340 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 1.336 1.366 2.654 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 -10.799 -5.263 5.476 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -1.467 8.668 -2.895 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -0.050 2.406 -4.534 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -11.636 11.625 -3.308 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -6.590 -6.616 -2.503 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -19.650 -10.661 8.776 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 3.612 -2.112 0.406 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 -1.552 -1.364 5.342 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -1.589 -0.197 6.160 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 -16.277 -2.931 -21.003 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -0.161 2.649 2.148 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -3.555 -9.221 5.286 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -1.197 5.230 -3.885 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 3.592 6.630 0.571 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -12.644 -3.128 3.327 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 6.241 17.271 16.318 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 2.069 -2.874 0.904 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 29.195 5.690 0.400 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -1.495 -13.191 -25.584 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 6.679 -6.415 1.873 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 6.349 6.379 25.949 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 5.958 -1.456 26.565 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 -4.313 2.471 1.693 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 11.237 12.019 15.772 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 0.660 30.092 3.337 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 -4.448 -9.096 6.307 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 10.068 3.262 -17.784 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 15.836 -26.471 5.065 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 0.367 3.763 1.950 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -2.488 1.743 -4.149 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 14.304 -4.632 4.048 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -2.804 -5.303 -2.761 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 -15.781 10.194 13.312 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 13.481 4.558 6.571 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 3.603 5.713 -0.101 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 5.056 -1.231 15.998 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -11.993 2.583 -2.625 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 3.479 -0.395 -4.025 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 6.385 6.500 -0.059 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -18.465 -7.242 -0.150 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 4.375 0.629 -4.378 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -3.000 -2.757 -1.517 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 0.277 6.960 26.496 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 -3.431 -1.969 2.701 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 -20.501 -0.090 -17.371 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 12.563 -16.273 -2.596 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 -3.526 -4.316 -0.366 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 -5.444 -13.808 19.045 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 20.838 1.338 -8.049 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 -1.190 0.807 3.478 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 14.897 17.733 -2.518 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 10.562 -3.481 -2.726 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 -2.292 0.655 6.525 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 -14.040 -3.971 14.227 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -10.931 -7.038 14.298 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 -1.281 5.463 -6.387 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 0.516 21.536 11.232 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 23.621 -1.558 -30.083 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 -6.781 5.208 1.464 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 8.345 0.035 1.658 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 -4.556 8.860 7.039 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 0.750 -1.297 -0.785 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 -4.308 6.570 1.713 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 6.985 -11.780 44.202 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 0.573 -5.289 1.292 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 -0.563 -3.946 1.431 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 6.360 -0.724 -29.301 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 -0.324 -1.552 5.960 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 -2.693 -4.116 -3.875 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 10.239 -8.349 -28.186 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 -2.013 1.871 -5.561 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -18.771 7.226 35.614 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 -12.379 -7.310 -11.927 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 2.020 -2.516 -1.730 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -7.049 -0.446 5.997 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 -27.112 8.020 11.207 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 -4.581 2.331 8.775 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -7.748 3.980 -2.911 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 -7.950 -3.199 -1.286 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 5.272 1.042 -3.654 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -3.363 7.801 -3.870 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 7.094 0.068 -14.678 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 -2.318 8.047 4.357 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 11.061 6.710 -7.663 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 19.232 4.176 -23.144 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 0.479 1.092 -4.188 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 11.769 -1.561 -7.776 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 -3.076 5.624 -13.582 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 -2.950 -0.684 -0.443 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 32.068 8.734 16.318 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 2.138 -0.211 -7.456 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 -1.177 -3.079 7.940 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -13.086 -17.177 12.006 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 -5.075 -9.535 12.790 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 3.073 0.898 -2.480 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 3.465 0.076 -4.512 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 5.614 5.812 -9.141 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 -5.140 0.096 5.996 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 3.492 1.252 -6.363 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -4.434 12.760 11.986 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 1.797 -1.945 -2.948 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 30.409 -12.808 -12.069 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 -8.144 8.044 12.634 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -0.283 -1.293 -4.030 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 0.179 16.745 -12.964 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 20.251 -7.225 2.638 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 1.345 8.571 -1.133 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -6.034 -6.273 11.730 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 21.977 9.270 2.113 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 3.988 1.446 1.887 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 2.468 -4.708 -0.610 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -23.587 8.397 22.101 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -3.557 -0.331 -3.572 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -4.242 -8.743 0.042 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 -1.807 2.584 -0.463 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 -2.889 4.897 -4.469 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 12.553 -12.713 18.127 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 -33.602 1.448 12.414 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 1.568 -2.597 6.486 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 -22.000 -9.332 9.746 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 6.201 3.897 -1.181 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 1.589 -1.914 -1.350 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 3.133 5.585 -3.448 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 5.911 -27.274 -3.261 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -1.649 -7.439 3.314 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 4.787 -18.402 14.793 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 6.994 8.637 -12.020 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -1.826 -10.417 2.835 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 -6.006 -10.664 -22.182 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 1.290 6.782 -6.256 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 0.474 3.296 0.355 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 20.281 1.498 -11.267 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 -13.896 -11.817 -8.782 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 6.168 1.174 0.639 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 24.759 3.233 6.887 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 2.721 20.752 -0.296 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 0.889 -3.202 7.837 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 -37.112 -7.750 29.329 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 4.811 -0.885 4.419 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 3.011 -1.465 -3.496 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 -30.491 11.646 -24.348 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 10.005 -25.555 -5.854 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -3.542 4.091 -0.841 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 16.141 -3.546 -5.170 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 0.930 23.063 8.993 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 -0.215 -9.109 -5.415 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -9.932 0.068 5.539 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 -2.867 8.689 -11.199 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 1.108 1.892 0.401 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 4.226 3.709 -2.516 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -0.491 7.089 0.397 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 4.048 -3.640 -4.925 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 12.869 -19.537 13.867 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 16.329 -0.439 -8.805 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 -0.070 -4.246 -3.120 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 12.306 -7.685 4.283 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -10.382 0.564 7.836 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 7.935 -2.442 -3.263 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 9.618 12.597 -12.818 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 14.187 16.714 1.871 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 4.101 -2.568 -1.244 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -7.596 -6.895 -7.484 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 -7.287 -1.911 13.951 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 0.707 3.776 -3.260 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 3.326 -20.664 -12.059 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 0.606 4.601 -2.048 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 -1.101 1.080 1.170 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 16.943 -2.543 13.514 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 1.395 17.603 -2.015 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 0.135 1.750 -1.758 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 0.450 5.643 -2.650 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -2.789 0.415 13.009 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -3.156 4.338 -1.575 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -1.140 6.678 1.347 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 -3.839 5.410 -4.741 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 -0.705 4.619 8.452 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 3.997 -12.980 -0.514 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 17.354 3.440 20.724 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 -0.986 -6.076 -5.899 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -9.571 18.675 -7.922 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 -14.423 -18.963 18.200 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 -4.500 -5.170 7.358 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -5.063 -1.864 21.518 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 0.112 10.791 -1.966 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 -3.581 0.957 -0.847 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 15.789 -5.175 -5.219 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 -14.738 -14.258 -8.437 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 6.102 -0.277 -3.330 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 8.352 -15.266 -6.032 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 18.349 -7.359 2.011 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 -2.346 3.278 3.566 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 20.429 4.791 1.623 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 10.183 -21.351 16.077 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 6.168 -5.293 -0.193 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 6.636 6.954 -7.818 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 11.128 5.265 -31.261 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 2.098 1.149 -5.073 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -1.727 12.657 -0.621 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -5.270 -18.281 0.533 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 -1.258 -4.453 -1.981 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 -3.995 5.836 6.494 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 12.284 -3.128 -5.890 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 -0.313 2.495 4.944 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -5.834 -7.521 -3.289 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 2.994 16.104 -6.210 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 1.340 -6.397 -0.554 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 3.002 0.826 -4.947 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -1.405 -18.484 5.987 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 -2.378 2.927 -3.593 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 1.541 -1.560 -11.070 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 -3.767 -9.869 3.505 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -2.033 0.756 5.090 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 -17.577 17.775 3.919 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 1.208 3.905 11.461 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 6.529 5.421 -1.007 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 13.583 -23.567 5.036 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 18.234 15.367 6.202 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 0.707 -1.564 -0.349 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -2.865 21.301 14.347 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 4.469 6.151 9.916 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 1.035 -3.539 -1.327 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 8.038 -2.983 -18.612 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 -11.013 -18.048 -2.201 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 1.711 -6.033 2.479 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 3.213 -21.300 9.598 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 11.226 -5.763 -2.274 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 3.240 -0.086 -5.358 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -1.050 10.308 4.443 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 8.985 -4.829 -8.914 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -4.055 -3.524 -8.342 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 -3.356 6.645 -1.338 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 16.352 -4.502 -18.103 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 1.627 -1.791 -1.913 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 22.436 -14.374 5.217 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -3.486 0.239 16.823 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 -3.125 5.838 -0.736 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 -14.776 16.496 -9.637 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 14.925 -12.188 6.152 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 -2.542 -7.945 -6.316 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -1.774 -8.245 21.170 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 16.247 7.403 -9.610 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 1.112 0.554 -9.235 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 7.521 -7.110 -1.688 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -2.649 8.500 -12.224 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 1.182 1.128 4.847 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 2.295 10.434 7.274 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 1.485 -5.659 -6.854 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 1.057 -8.396 -1.574 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -14.837 -2.401 7.736 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 11.693 -12.407 -9.202 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 6.724 5.055 -4.262 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -5.405 6.130 -16.338 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 0.080 2.074 -12.526 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 5.983 1.855 4.918 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 11.282 -4.937 3.417 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 5.628 -8.137 -0.076 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 3.331 0.109 -1.319 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 19.659 9.322 7.146 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -0.978 17.484 -2.424 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 -5.973 2.558 -4.322 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 2.000 7.166 -5.329 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 -15.593 -23.553 1.679 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 5.275 3.931 2.137 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 6.396 6.515 7.765 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 10.855 4.718 29.129 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 1.778 1.736 -3.583 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -8.978 14.104 28.090 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 -13.385 -6.448 -4.040 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -4.069 -0.671 -1.662 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -3.127 -1.843 -1.453 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 11.779 2.071 -6.062 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 5.948 -1.438 2.838 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -5.031 -7.979 -8.175 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 8.174 6.206 -38.759 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 3.295 1.807 -6.311 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -2.642 -4.642 -18.900 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 17.951 3.770 -7.957 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -1.391 -1.561 6.832 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 0.738 9.942 -7.487 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 1.409 9.515 8.740 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 0.031 1.375 -0.957 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 2.338 4.796 8.577 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 5.094 7.945 0.203 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 3.643 -1.911 1.726 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 21.017 8.669 2.975 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 15.445 -6.345 22.287 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 -3.534 -1.174 3.784 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 5.340 4.302 -13.159 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -13.127 9.717 -10.501 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 3.297 3.125 4.995 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 25.174 0.917 0.981 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -18.539 9.661 4.134 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -4.987 -4.172 -0.989 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -8.036 -12.329 10.582 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 -6.750 -4.436 -11.012 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 -2.221 1.889 2.153 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -14.723 -4.668 0.823 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 22.947 10.911 -10.885 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 9.019 7.802 1.116 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 17.900 -18.488 19.896 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 24.864 -27.504 -1.707 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 5.875 1.152 1.281 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 4.125 2.103 4.375 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -1.189 25.920 33.165 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 4.595 0.715 0.480 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -6.115 -12.018 1.238 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -0.325 4.322 0.123 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -1.995 2.885 -2.186 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 1.897 5.928 -5.386 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 11.926 -13.124 6.666 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 0.818 0.780 1.109 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -22.044 -2.771 30.379 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 8.309 24.136 4.408 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 -2.820 -4.532 3.026 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 23.163 6.552 6.332 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 1.487 -24.792 4.909 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -5.763 0.267 7.120 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -10.492 6.964 -6.129 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 12.057 -17.566 42.979 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 2.185 0.532 -3.511 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 3.332 9.543 -11.013 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 26.265 -12.129 -2.380 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -5.113 -4.256 1.967 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 -20.341 10.880 5.136 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 11.548 4.520 23.961 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -0.178 1.325 -4.027 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -3.368 -6.700 -20.347 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -2.487 20.335 -8.902 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 3.179 1.406 -4.484 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 6.959 -1.613 0.414 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 0.484 3.338 -6.927 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -4.912 4.945 1.232 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 0.421 2.860 2.731 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 -8.690 -6.328 -36.658 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 -4.944 -1.380 2.441 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 -5.466 2.855 17.185 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -17.633 6.434 -1.719 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 -5.325 3.583 4.065 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -3.554 -11.723 22.169 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 10.145 21.361 10.825 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 -7.744 0.294 5.747 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 8.667 2.006 24.208 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -2.221 2.222 8.604 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 2.857 6.248 -0.667 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 -28.093 -5.181 21.914 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -12.021 8.581 5.568 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 1.320 0.989 -5.048 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 -6.083 9.898 -4.618 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 8.891 3.406 0.352 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 5.146 -9.688 4.228 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -1.509 -8.031 1.963 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 -1.190 -7.290 2.128 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 0.238 9.282 2.028 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -15.581 14.850 3.444 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 -1.788 -8.281 5.743 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -1.575 5.019 -0.984 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -8.976 3.408 -4.745 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 0.692 4.157 -2.294 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 3.014 -3.085 -1.056 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 8.707 16.501 -17.321 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 12.532 -9.727 6.803 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 -0.936 0.828 4.501 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -1.184 3.326 6.867 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -4.220 -14.574 -2.569 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 1.660 -7.971 6.047 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 8.734 -2.174 -5.160 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 4.349 1.845 -1.642 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 2.346 7.938 -3.230 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 5.094 8.868 -15.549 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -4.282 2.691 11.759 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 5.431 -4.606 -8.690 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 -11.125 2.189 -3.174 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 15.291 16.626 -7.575 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 5.211 -0.818 -5.355 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 3.280 7.374 18.838 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 6.596 -7.485 -16.026 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 5.762 -3.025 -0.880 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 10.269 -9.156 11.579 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 2.123 7.178 -14.891 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 -5.999 -2.503 0.798 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -8.722 7.169 8.420 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 3.046 1.198 -10.411 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -2.438 5.007 2.006 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 -3.994 9.239 3.908 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 -5.892 1.421 2.339 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 -4.433 -5.232 -4.073 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 5.694 -13.086 -5.672 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 2.155 -9.747 -2.215 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 0.466 -1.779 -2.588 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 -21.560 -2.170 4.619 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 11.663 12.580 -7.468 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 1.912 -0.497 1.205 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 4.291 -13.015 1.229 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 -7.507 3.823 1.109 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 4.487 0.919 -3.468 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 19.688 -19.631 15.686 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -6.037 -8.052 -1.035 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 5.197 -0.137 -1.778 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 5.240 -18.344 -6.587 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 5.253 -7.504 -3.573 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 3.377 1.719 2.960 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 15.207 -12.386 -18.726 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 10.802 -12.906 -3.954 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 3.671 -5.678 3.230 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 3.788 -8.030 9.606 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 3.096 -2.985 -0.518 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 1.290 1.702 -6.830 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 -3.473 -2.984 15.280 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 -6.412 -15.508 9.546 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 -1.009 -1.849 -2.703 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 -12.028 -14.960 -38.904 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 2.026 0.089 2.478 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 4.442 3.287 3.238 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 1.948 14.722 -2.639 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 -3.526 4.764 -4.036 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 6.301 0.753 -2.613 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 -15.891 -6.108 -9.381 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -2.428 -8.861 5.634 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 9.818 -1.265 -10.051 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 10.468 -9.287 -12.080 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 16.833 -7.460 12.899 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 4.878 1.310 0.507 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 7.646 2.356 28.608 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 4.330 1.650 5.134 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 12.210 -2.831 0.708 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 28.294 11.689 -14.940 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 -10.612 -6.731 -6.462 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -2.563 -0.458 0.467 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 1.220 -4.582 7.887 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -7.234 -6.435 -15.387 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 2.260 0.178 2.748 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 3.847 -0.567 0.506 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 6.627 -3.455 -8.138 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 2.708 -1.280 -8.425 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 14.503 -6.848 -19.166 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -4.381 3.161 7.178 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 -4.473 0.472 -1.127 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 -0.251 -15.743 28.372 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 -4.801 2.118 -8.054 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 1.375 -2.210 0.249 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 16.630 -32.665 18.653 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -19.718 -15.521 -14.613 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 3.574 -2.505 -0.916 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 7.326 -2.082 -7.857 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 8.624 3.471 3.364 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 1.432 0.503 3.833 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 22.056 8.440 2.636 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -15.294 -8.381 13.834 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 3.120 -1.284 3.723 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 9.325 -7.907 -3.167 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 -5.053 1.159 12.547 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 0.845 3.027 -4.403 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -10.893 -7.882 -2.116 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 15.155 -4.696 -0.169 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 0.345 0.428 3.506 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 6.471 -8.204 1.914 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 -6.881 7.475 -1.502 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 9.140 -3.318 0.113 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 -1.080 -25.107 22.675 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 10.876 1.954 0.547 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 2.198 -0.090 -5.572 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 6.996 -21.736 7.851 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 -2.580 23.950 -7.088 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 7.799 0.107 -2.005 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 3.777 1.414 -3.920 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 6.046 1.882 -16.940 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 5.706 -0.834 0.996 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 4.280 -2.670 -18.941 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -13.381 3.158 -24.934 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 -3.876 -5.129 4.575 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 3.382 -10.557 10.051 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -2.416 5.370 8.157 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -0.643 -0.852 -0.889 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -3.733 27.322 13.224 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -6.972 -6.153 15.539 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 0.770 6.326 -3.093 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 0.733 20.215 1.189 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 1.627 -25.184 -5.916 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 3.315 -1.714 -0.474 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 4.120 -10.014 -1.368 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 6.348 3.504 -8.160 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 1.288 -3.399 -6.548 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 22.179 -4.505 -22.437 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 -8.604 -3.023 -13.228 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 5.546 -0.046 1.254 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 -12.887 -6.958 4.722 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 15.712 -17.557 2.945 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 1.719 2.033 0.952 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 1.832 -5.726 0.222 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 2.329 4.267 -5.957 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 2.125 -2.198 -1.607 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 -0.639 -12.555 -3.035 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -12.123 -7.414 -25.176 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -5.404 3.644 -0.801 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 2.135 -2.324 -20.169 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 -27.474 -10.484 6.259 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -5.058 0.429 8.197 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 1.100 -5.130 6.925 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -3.352 6.720 5.054 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 1.566 0.426 2.302 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 10.572 6.938 5.346 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 -11.038 -8.961 -1.221 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 -5.856 5.951 3.364 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -8.248 -0.056 -4.443 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 -9.650 -4.239 -8.554 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 4.627 -0.550 4.888 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -19.508 2.728 -29.610 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 -0.940 -20.358 19.699 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 2.610 0.936 1.238 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 10.007 13.080 -15.805 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 -13.447 -6.051 8.384 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 1.246 -3.889 6.013 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 16.349 26.968 7.076 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 -2.155 17.375 -27.295 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 -2.302 1.207 2.889 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 -2.320 3.056 -6.664 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 -5.145 1.312 -16.294 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 -1.096 -1.948 8.632 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -5.237 -9.069 -30.911 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -5.509 13.928 4.681 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 4.404 3.707 0.178 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -17.542 -6.272 -21.040 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 3.412 8.916 6.746 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -4.677 -3.015 -1.647 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -27.935 -9.638 -7.776 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -5.490 -5.794 0.053 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 -1.369 -4.332 -11.523 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 3.585 -17.816 -19.299 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 0.393 -0.963 -17.969 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -10.640 2.352 9.279 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -22.268 -5.540 3.591 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 8.874 9.578 13.689 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 -1.957 -6.395 -4.487 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 -0.407 1.381 -5.339 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -0.163 -14.275 -0.311 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 0.353 0.209 2.566 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 14.051 0.983 -12.704 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 -8.592 6.745 22.409 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 5.271 -7.498 -3.989 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 5.606 30.760 -19.658 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 -15.797 -10.866 9.271 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 1.459 -0.957 -2.250 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 1.396 9.426 -8.182 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -10.587 1.848 -10.509 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -4.226 0.304 -2.484 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 -5.590 2.620 -0.665 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 -13.204 2.771 9.600 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 0.606 5.202 -2.726 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 0.661 18.082 16.339 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 -24.241 -1.054 -6.230 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 1.318 0.141 -2.146 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 7.322 -18.544 -9.696 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -8.478 3.257 -17.059 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -1.688 -3.777 -3.773 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 16.432 -7.223 -9.753 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 0.313 2.162 14.799 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -1.756 1.778 -1.840 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 -15.323 0.799 -20.468 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 17.352 45.297 -22.929 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 -0.682 3.022 -2.323 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 -2.266 5.958 0.599 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -1.395 11.764 7.306 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 -0.464 3.712 3.207 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 11.591 15.092 -22.223 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 -6.850 -0.058 14.467 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 -3.138 -4.071 2.732 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 8.554 -19.534 18.553 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 -5.944 1.493 3.922 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 6.538 -1.720 6.308 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 17.503 0.534 -26.556 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -40.756 -20.655 0.624 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 6.567 3.873 -5.452 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 -0.541 6.481 -11.760 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 12.934 3.255 -4.906 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -3.150 -1.884 -1.736 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 -0.787 -9.859 2.504 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -12.099 5.448 9.526 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 2.052 4.451 4.271 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 2.227 -0.727 -10.522 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 -1.689 6.365 7.234 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 0.939 -5.815 -2.715 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 -18.517 3.085 3.071 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 18.549 -3.310 -8.382 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 4.412 -5.598 -8.313 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 3.471 -6.754 -8.098 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -7.711 4.472 -8.278 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 3.214 -6.185 -3.319 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -2.583 14.086 5.797 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 -5.978 27.046 21.125 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 5.439 1.962 -3.766 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 6.657 4.426 4.659 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 5.395 4.711 -0.417 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 1.129 0.134 4.889 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 -17.035 -7.525 0.282 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -13.567 -1.244 6.330 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -8.366 5.523 7.690 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 -4.562 -2.521 9.824 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 -0.762 -20.793 14.104 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 -2.318 0.572 4.623 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 5.440 -16.552 6.782 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -7.612 2.173 -5.472 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 4.157 -0.386 -1.156 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 -25.229 -9.440 -0.696 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 24.490 3.561 -15.689 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 -4.091 3.490 -0.685 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 9.515 -5.473 8.206 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 -18.964 -6.754 -6.040 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -2.876 1.204 -0.209 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 -6.475 -1.165 26.768 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 -15.343 -14.526 -8.166 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 0.353 0.009 -9.551 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -11.282 -10.328 -12.200 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 10.140 9.819 -17.747 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 -1.116 4.736 -3.278 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 -0.221 9.953 10.701 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 -1.441 -1.889 -9.644 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -0.905 -10.512 1.471 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 -1.310 -10.190 0.719 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 -3.369 -23.337 22.743 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 -1.830 -8.827 7.024 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 -1.682 -10.198 2.112 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -1.915 -12.159 3.580 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 -1.662 -0.577 3.332 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 -3.865 3.476 3.903 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 2.847 -5.650 0.061 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 6.870 -7.146 -1.603 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 17.198 12.994 -17.165 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 12.956 -13.408 26.004 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 -1.936 4.984 2.517 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 -2.732 -5.221 -2.822 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 -22.523 -3.038 -2.188 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 2.637 -4.366 -3.139 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 -10.335 -11.782 1.321 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 7.684 2.392 1.933 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 4.635 -2.588 8.165 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 7.894 -8.093 10.684 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -19.887 10.841 -0.502 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 5.706 6.288 5.017 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -4.145 -10.100 3.201 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 0.984 -36.911 -7.401 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 3.410 -5.678 0.837 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 10.484 7.201 19.532 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 11.977 -0.306 2.875 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 1.684 -1.820 6.575 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 9.225 1.966 5.769 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 0.856 -3.464 18.291 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 -1.895 -5.229 2.614 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 -15.203 -12.068 1.785 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 -3.556 -6.365 0.245 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -4.055 -7.835 -3.657 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 11.086 -2.504 -15.011 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -3.646 -8.087 -4.166 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 -4.465 -4.004 -1.052 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 2.445 -3.514 8.056 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 2.422 -2.546 6.822 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 -3.736 -5.740 2.396 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 -6.670 -7.121 19.321 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 24.573 3.056 1.277 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 0.163 0.696 -5.874 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 10.543 2.685 26.472 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -28.897 -23.460 5.466 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 -2.060 0.269 3.873 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 -6.310 -16.140 -5.824 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 12.662 11.049 -8.013 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 5.337 -3.287 1.708 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 8.923 -2.602 8.948 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 6.402 -10.951 -0.925 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 -0.998 3.635 -3.265 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 9.378 7.852 -2.968 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 -12.465 -10.220 5.811 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 0.757 -1.657 3.255 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 -10.857 1.718 19.509 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -21.651 -9.676 -26.833 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 -2.210 5.800 -1.749 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 2.368 -25.670 -20.460 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 1.459 5.055 8.929 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 10.914 3.852 3.850 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 7.633 -20.261 1.093 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -9.506 7.962 14.455 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 4.114 -1.831 -6.653 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 12.527 -5.407 11.467 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 -7.022 -2.377 -6.149 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 4.594 -0.299 -0.518 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 1.505 21.413 -14.647 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -2.685 4.216 -2.449 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 3.629 3.080 -1.205 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 2.577 -0.636 15.020 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 0.433 8.237 1.789 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 -3.592 -1.249 -0.302 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -3.664 -1.451 7.327 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -10.467 0.089 11.441 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -2.555 -1.820 5.989 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 1.434 9.531 -1.637 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 5.530 3.775 4.686 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 3.882 4.592 -3.598 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 0.463 -0.114 -2.683 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 -0.978 3.044 -9.417 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 1.139 0.568 0.160 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 -10.887 -10.795 -8.979 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 9.684 21.945 13.339 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 -3.681 -2.817 0.382 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 -0.141 -0.714 -2.236 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 9.254 4.968 -3.255 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -0.708 -1.899 5.880 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -8.573 0.440 3.684 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 4.115 -12.454 2.001 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 3.604 1.730 -1.705 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 1.402 4.476 -21.297 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 -0.959 17.300 -0.950 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 -1.829 1.540 -2.994 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 4.308 -8.164 5.346 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 3.454 2.513 -10.735 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -3.114 3.268 -2.292 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 -2.413 7.349 -4.289 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 5.619 -10.400 4.665 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 -4.107 -3.679 -12.338 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 -11.319 8.386 -11.287 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 5.854 -29.204 -8.336 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -3.820 -0.953 -1.083 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 -4.189 -3.957 -2.156 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 -10.927 23.599 8.097 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 4.299 -1.025 -5.964 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 -13.855 -14.342 -4.008 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -0.959 -6.111 11.816 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 3.278 1.662 -1.795 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 -6.027 0.191 -9.992 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 4.768 14.191 -1.649 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 7.789 -2.417 4.147 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 8.670 -13.677 16.258 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -1.870 -8.304 -5.934 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 0.019 3.991 6.954 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -14.724 -0.141 6.147 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 -0.068 -7.273 -10.455 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 5.095 0.205 1.030 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -22.739 13.306 -2.785 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 11.778 -11.802 -27.656 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -6.574 2.220 1.962 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 -1.084 6.443 -10.890 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -13.083 11.247 -11.727 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 2.155 -0.056 -1.116 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 -1.457 6.595 -5.945 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 -7.666 14.476 -13.173 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -2.836 2.421 2.302 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 4.205 4.546 1.969 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -12.051 -0.661 10.412 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 1.934 -3.780 5.655 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 -18.905 11.793 3.922 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -4.014 -0.129 0.621 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 4.191 -1.313 -5.571 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 2.197 -18.348 3.137 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 -14.552 -4.446 3.262 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -2.311 -9.154 0.942 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -5.955 -5.973 3.255 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 -4.048 11.528 13.391 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 3.356 -1.476 -3.605 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 -2.849 14.913 6.942 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 11.803 -25.990 14.283 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -4.008 4.845 -8.351 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -2.213 2.273 -8.505 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 6.893 0.136 -1.920 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 -1.401 2.175 3.402 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 5.706 -7.868 -6.808 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 0.322 -1.139 -1.588 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -2.302 4.496 -1.792 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 4.570 22.392 32.407 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 -27.609 -4.472 1.711 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 5.238 2.444 -6.422 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 14.618 -10.165 -20.472 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 12.266 0.663 -9.726 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 5.493 1.114 -0.840 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 -19.276 0.117 -2.746 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 7.159 -0.309 8.827 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 1.646 -1.751 1.348 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 15.397 3.439 5.703 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 -7.599 -5.587 -1.363 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -0.932 0.846 7.143 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -12.333 12.431 19.239 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 8.466 -1.101 22.884 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 2.237 1.450 0.314 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 11.996 -2.989 20.527 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 20.545 5.426 -13.014 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -1.018 -0.800 1.325 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -5.747 1.996 -1.582 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 0.562 -4.655 -2.791 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 1.038 0.871 -1.958 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 10.872 3.092 4.839 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 0.378 -16.069 -9.813 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 0.614 4.559 -3.237 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -0.508 2.388 -2.810 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 -5.741 1.969 -2.300 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 0.103 0.107 -1.598 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -10.110 -9.026 -5.937 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -4.084 11.298 -6.021 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 1.738 -2.872 -1.652 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 -7.341 0.463 35.801 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -5.186 -5.290 18.106 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 -0.824 0.285 -2.817 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -1.636 0.621 -2.130 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -6.290 2.909 -0.692 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 0.593 0.109 6.534 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -10.100 -14.980 17.985 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 9.834 -1.985 9.364 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 1.143 3.441 -1.378 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 30.825 0.680 -6.463 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -33.491 12.676 -19.991 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 8.294 -3.135 4.287 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 11.422 -4.767 1.116 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 31.859 -0.117 -17.642 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 4.387 6.002 -0.397 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 -2.028 10.140 -1.065 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 2.467 6.059 4.655 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -5.848 -1.760 -2.633 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 -1.298 -2.898 5.112 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -12.271 9.466 5.508 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 -0.655 -0.382 1.385 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 7.244 -0.886 10.549 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 -7.527 1.459 -3.138 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -7.102 2.771 -1.458 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 2.155 -17.927 -7.743 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 2.164 -15.909 -2.179 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 -0.070 -4.736 1.534 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 -17.563 -16.689 -32.542 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -17.948 -8.947 15.295 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 2.035 3.551 -2.346 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 -27.085 -13.609 1.470 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 8.289 -13.399 9.289 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 0.721 3.071 -1.478 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 5.673 -1.511 13.129 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 8.740 3.316 -1.143 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 5.706 -1.168 -3.951 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 17.636 -6.274 -7.760 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 1.439 0.399 -2.901 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 -2.998 -0.650 4.235 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 23.366 9.244 -7.538 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -23.122 -1.725 -20.679 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 -2.511 -1.874 -5.093 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 4.747 -9.338 -16.821 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 0.564 -4.286 -11.367 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 1.441 -5.554 1.618 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 0.301 -4.476 -3.806 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 1.303 -1.098 -15.744 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 -1.346 7.876 2.936 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 -1.613 16.946 6.309 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 0.379 -11.367 -7.250 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 1.143 -4.795 -4.935 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -21.706 -1.047 2.625 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -21.406 4.782 6.424 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -0.369 -0.245 5.111 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 -27.441 15.788 10.565 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 16.365 14.944 22.444 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 2.024 1.054 3.018 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -14.680 -10.123 1.729 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -10.623 -19.196 13.647 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 -2.260 -4.609 5.050 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 -10.701 -8.761 -9.161 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 28.197 -6.073 -4.308 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -1.836 5.466 -0.534 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 0.226 7.071 -11.583 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 0.358 2.624 -16.304 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 -3.023 -2.214 -3.110 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 -2.689 -1.874 -6.223 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -2.554 -4.878 -1.067 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 1.504 -2.033 -1.672 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -7.192 -7.140 -7.936 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 13.779 22.046 10.465 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 6.137 2.851 2.268 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 15.120 -5.165 1.047 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 6.935 3.066 0.284 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 -1.720 2.385 -1.815 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 4.685 -3.041 9.085 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 11.390 2.960 -22.287 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 -0.028 -2.071 -2.290 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 25.241 6.393 -1.542 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -5.464 8.489 -12.140 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 6.700 7.032 -0.610 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 10.669 14.829 0.666 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -8.840 8.096 14.880 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 -1.182 -0.537 -3.071 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 10.013 3.909 -5.938 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -6.035 -10.749 -2.364 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 8.052 -4.366 -7.709 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 5.623 -7.740 -22.830 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -8.476 -10.427 -7.666 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 1.876 2.285 4.723 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 6.671 -4.321 1.286 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -3.657 -11.904 -6.628 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -1.152 3.675 -9.162 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 0.877 0.093 -15.378 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 5.455 5.617 -5.205 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -1.217 -4.309 -4.803 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 -1.215 8.381 3.581 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 8.079 -19.770 -4.775 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 5.732 6.012 -4.965 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 2.224 -13.330 -22.155 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -2.507 15.188 26.582 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 3.678 3.234 -0.593 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 3.872 7.700 -2.430 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -8.026 30.103 12.842 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 5.315 -5.946 2.803 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 3.221 12.423 -35.144 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -23.241 -29.314 8.236 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 0.094 1.066 -4.028 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -10.536 4.080 -5.944 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -13.017 1.980 4.642 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 2.373 -0.948 -0.408 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 17.075 2.109 15.304 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 9.068 -12.538 23.099 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 0.723 -1.504 -0.719 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -14.125 -30.446 22.889 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -4.934 -11.821 -1.337 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 0.814 2.467 -0.830 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -10.387 -11.247 -7.737 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 -0.544 -10.287 6.070 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 3.001 6.840 8.459 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 10.232 -20.102 13.724 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 -14.175 8.761 6.509 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -1.705 -3.979 0.587 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -26.377 9.378 9.583 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 -4.460 -14.939 -29.812 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -1.735 -5.770 2.238 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -15.167 11.474 11.904 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 21.537 9.224 1.775 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 0.676 -2.204 1.645 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 -1.458 -7.904 5.729 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -1.813 -0.936 -4.422 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 1.101 -1.943 -2.258 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 5.827 -23.520 -0.048 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 -1.259 1.021 -27.927 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 -2.853 0.788 -1.760 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 1.421 12.212 -2.917 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 29.706 8.694 -11.245 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 3.459 -2.134 1.600 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 1.199 -6.822 9.755 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 -6.523 -8.823 17.707 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 1.175 -7.251 6.411 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 -5.135 16.413 -8.567 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 13.126 -8.176 -5.594 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -2.446 -2.027 3.107 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -8.371 -13.279 -16.904 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 -1.504 -9.017 -5.333 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 -5.145 -0.995 -3.621 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 -4.284 17.077 -9.830 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 -7.578 -1.216 -1.474 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 8.300 4.550 -2.920 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 7.959 16.291 -8.647 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 3.091 21.952 -0.460 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 2.354 5.429 -0.932 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -26.664 0.891 0.206 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 9.615 0.219 8.580 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 2.958 -4.298 2.940 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -5.424 -6.385 5.480 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 -3.149 1.085 -7.302 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 1.399 4.813 -3.285 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -30.292 6.138 -8.718 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 11.227 8.364 -3.396 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 3.097 -1.525 3.227 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 -8.454 12.096 -2.256 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -12.908 16.362 -4.501 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -3.461 -3.628 3.629 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 -29.020 -2.102 -23.941 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -14.352 -15.644 -7.192 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 1.504 0.857 2.502 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -8.793 -25.751 28.100 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 3.607 11.841 -8.296 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 -2.255 1.075 1.045 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 -5.733 -4.678 4.270 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 -0.861 -6.645 14.871 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 1.442 3.142 1.443 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 5.138 -0.338 0.356 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -2.067 24.901 -12.271 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 1.492 1.953 -0.139 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -3.194 -6.464 -11.981 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 5.658 0.018 1.659 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 4.742 1.500 -0.186 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 8.661 -3.141 -3.300 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 9.338 15.482 23.865 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -6.791 -0.750 0.845 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -6.363 14.602 -8.116 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 5.649 16.228 15.622 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -7.268 -6.915 2.485 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -1.737 -4.702 20.022 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -5.256 -5.731 -6.839 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -3.020 2.945 -4.173 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 -12.279 -18.956 -14.604 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 13.922 15.975 27.331 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -6.368 1.762 2.229 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 -6.461 2.039 1.137 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -3.160 3.301 5.052 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 -3.231 4.227 -1.532 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 -32.005 -7.735 -20.519 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 4.369 36.261 -14.475 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 1.859 -3.785 5.757 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 25.682 -7.098 3.979 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 3.414 -25.644 11.132 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 -0.184 8.092 -2.276 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 11.964 -9.687 -14.724 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 14.859 -2.522 -14.902 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -4.523 2.490 -3.104 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 8.518 -2.667 -3.564 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 6.014 -10.261 1.276 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 2.883 3.678 -7.346 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 9.124 -7.813 -5.107 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 0.854 -3.207 -6.939 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 1.704 -7.508 -5.153 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 7.858 -15.043 -41.644 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 3.546 -18.786 -20.069 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 3.367 4.971 3.693 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 3.905 20.834 16.936 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 15.302 11.012 8.624 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -6.649 2.539 -5.192 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 -31.865 -7.899 7.899 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -9.466 8.323 -3.598 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 -5.633 4.598 -2.273 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 -14.772 0.482 -3.118 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 -1.721 13.288 -10.348 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 -4.924 -8.838 2.009 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 17.873 8.229 4.435 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 14.016 -6.246 -15.999 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 6.823 -2.947 -7.650 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 4.359 5.707 -16.775 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 -16.074 -23.377 32.190 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 -7.965 1.038 -1.276 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -16.130 6.899 0.454 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 16.243 2.012 -3.587 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 2.299 -1.058 -1.307 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 4.683 -0.262 -0.745 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 6.583 9.658 -15.410 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 2.063 4.066 -2.605 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 -7.186 -11.768 -15.553 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 4.319 11.501 4.040 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 0.428 -0.763 0.125 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 -1.821 -5.445 1.781 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 1.275 -12.694 2.911 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 2.777 0.571 -4.699 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 -13.720 -8.021 8.183 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 -3.340 -5.115 1.158 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 1.515 3.669 -4.127 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 1.935 -7.930 1.152 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 -4.665 10.946 -12.096 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 -8.401 -4.117 1.903 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 6.200 0.167 23.081 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -32.898 0.796 -8.212 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -1.431 0.666 0.921 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 -39.722 2.259 36.882 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -9.883 2.446 4.065 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -0.917 3.066 0.068 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 -2.281 7.053 0.315 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 3.769 3.610 -1.067 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -2.748 -6.850 5.169 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 4.487 -6.423 6.393 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 -32.904 -9.865 4.274 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 -1.030 -4.517 -7.891 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 14.439 -8.619 4.889 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 -7.498 -11.069 -15.951 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 4.407 -0.119 1.598 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 2.004 20.841 -1.168 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 4.212 2.576 1.145 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 6.139 3.832 1.164 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -5.854 4.938 -22.745 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 15.722 -2.108 -4.737 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -7.537 3.032 3.069 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -4.630 4.660 19.023 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 3.755 15.262 -2.553 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -0.864 3.393 -0.255 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 14.777 7.480 20.950 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 -15.474 0.899 -13.382 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 -8.475 -4.641 3.750 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 -6.897 -16.727 -5.553 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 1.705 -10.631 9.519 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 1.495 -0.045 -4.819 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 0.511 7.136 -3.255 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 12.878 2.672 -5.891 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -4.263 -3.685 -0.900 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 -16.559 6.974 26.207 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 16.009 -7.517 -5.899 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 5.032 -2.061 -1.999 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 0.951 0.168 -1.871 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 5.774 -2.400 -5.726 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 4.124 2.612 -8.238 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 20.907 -17.149 19.999 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 -0.590 10.383 -13.805 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 2.060 -6.492 -0.807 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 1.803 0.516 1.116 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 6.271 5.371 11.426 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 4.417 6.406 -0.089 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 1.245 -3.281 -8.839 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 3.300 1.384 10.295 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 -3.087 -1.138 1.471 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 -4.822 -5.583 -12.299 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 19.177 7.607 13.361 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 1.016 -3.466 0.774 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 -19.233 9.180 16.646 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 -2.433 -0.034 3.827 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 0.837 -3.256 1.218 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 0.919 -7.309 6.286 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 5.889 -5.296 -4.130 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 1.021 1.257 -1.561 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 6.998 0.055 -5.961 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -7.027 0.013 -4.234 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 5.179 1.054 6.434 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 2.493 2.554 6.299 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 1.452 0.355 4.784 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 1.874 4.389 1.930 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 5.646 -8.860 25.555 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 21.699 0.439 9.790 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -6.688 2.413 -0.986 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -4.333 6.927 -0.994 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 3.291 9.552 12.163 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -4.280 2.357 2.159 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 30.376 3.023 2.698 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 -0.297 9.117 -4.869 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 3.375 -4.728 -5.802 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -8.508 -8.420 23.581 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 2.695 -6.436 -5.287 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 1.604 2.767 4.464 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 14.578 9.942 1.543 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 25.565 -21.981 -10.539 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 6.221 4.413 -0.767 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 -2.985 -6.274 -6.311 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 17.388 9.732 -9.477 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 1.791 5.740 1.806 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -3.186 6.753 -5.386 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 2.783 -8.563 12.976 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 1.322 8.118 -3.978 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 -7.732 7.655 -18.354 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 1.761 3.356 -7.229 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 -0.988 -11.880 6.008 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 -3.139 -21.254 10.017 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 -11.950 -2.688 -15.728 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -0.486 -3.689 1.521 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 -0.575 -3.034 2.348 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 -0.186 -2.784 -1.540 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -4.321 -2.264 1.475 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 -9.170 1.916 -0.040 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 1.161 -4.119 0.353 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 1.194 5.824 -2.436 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 3.398 9.944 -15.757 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 -16.200 2.284 10.837 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -3.904 -1.024 -4.426 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 -12.918 1.383 -7.229 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 3.389 -4.021 19.434 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 2.331 2.662 -4.665 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 -4.506 0.301 -7.579 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 4.010 10.178 -3.525 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 3.574 1.101 -3.536 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 28.043 1.608 -7.166 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -10.396 1.354 -0.555 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 2.823 -0.675 -2.824 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 -16.123 -13.762 -3.438 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 6.140 -1.690 -22.363 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 -0.367 -0.157 2.009 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 -12.021 -11.366 5.704 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 16.299 -22.223 -25.023 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 -0.457 -1.105 4.167 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -10.702 -4.959 -4.009 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 2.441 1.736 -10.352 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 0.671 -4.207 -3.798 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 3.138 8.141 5.472 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 8.952 2.351 -9.140 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 -0.838 -2.935 -3.448 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 -5.530 -4.557 -3.940 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 7.180 3.441 -3.585 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 6.470 3.992 2.777 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -23.662 26.071 26.918 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 -6.703 -8.681 2.472 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 5.085 7.877 -3.918 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -12.811 3.887 19.951 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 -5.398 12.115 -1.060 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 0.986 -3.206 2.448 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 10.598 -20.183 8.707 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 5.860 8.680 4.238 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 4.711 -3.911 -7.754 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 -2.137 -5.018 22.096 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 22.724 -0.171 -22.208 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -2.926 4.019 -4.262 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 0.785 -10.739 -4.480 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -10.073 6.094 9.660 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -2.935 -2.019 3.741 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -8.303 5.053 -3.698 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 1.733 -6.627 17.823 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 1.477 2.553 0.294 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 17.670 10.896 -1.194 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 -8.610 15.173 4.169 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 -1.900 -7.865 -9.104 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 8.463 -9.652 3.921 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 4.441 -7.681 -16.308 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 0.654 0.765 0.678 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 0.864 14.823 -5.812 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -10.811 -2.430 8.021 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 1.845 -4.012 2.782 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 8.906 -12.939 13.926 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 34.222 26.496 13.386 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 2.410 -1.632 -0.676 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 14.353 6.653 7.495 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 8.063 -8.259 -2.846 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 0.153 -0.835 -0.973 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 -4.399 -16.265 -7.675 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -13.946 1.610 1.342 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 6.380 -0.327 0.174 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 7.056 41.533 1.535 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -20.108 4.407 6.782 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 -1.157 -2.369 -3.335 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 -0.688 -3.904 -7.121 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 2.618 -9.875 24.731 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 -3.542 2.864 5.421 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 -2.316 13.500 -5.005 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -1.883 -1.483 5.445 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -0.769 3.996 -0.409 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 -8.292 -2.859 6.984 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 15.464 0.508 1.847 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 1.034 0.935 4.287 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -9.704 2.658 1.732 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 14.587 3.494 7.242 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 -0.249 -0.928 2.158 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -5.545 -8.524 -3.361 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 -2.906 3.509 16.741 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 6.507 -1.165 -0.141 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 1.367 5.587 18.019 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 1.782 5.968 18.685 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 3.078 0.734 0.592 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -24.084 14.301 12.839 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -17.483 4.100 7.250 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -1.952 2.051 -2.040 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -17.619 -19.669 -3.370 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -17.756 22.751 -24.785 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 7.623 4.735 2.522 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 11.630 8.463 0.477 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 9.821 4.247 2.999 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 -8.267 2.567 -4.686 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 -5.771 -4.042 -7.048 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 -3.234 7.498 -4.066 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -2.803 -6.293 -9.752 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 12.313 7.526 -1.971 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 9.065 2.566 -0.137 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -3.554 0.055 -1.804 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 2.444 20.434 1.714 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 -2.511 0.789 -12.399 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 3.178 -0.182 0.723 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 19.709 0.156 -0.430 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 -1.676 -14.156 -5.586 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 5.265 1.732 -1.694 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 3.509 -4.280 5.758 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 6.667 2.410 13.188 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 -2.624 -0.979 -0.568 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 8.912 -2.063 9.616 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 23.978 -6.470 23.647 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 2.978 -4.897 1.942 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -0.436 -0.708 6.432 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -6.963 -18.385 10.935 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 7.390 3.709 -3.284 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 24.767 7.685 -1.293 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 28.328 10.530 -1.993 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -4.866 -3.809 1.721 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 -0.462 0.551 8.977 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 11.732 -2.358 3.224 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 0.728 3.099 3.388 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -0.445 -3.057 -6.423 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 0.356 15.898 18.122 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 2.279 5.441 1.305 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 1.022 4.677 1.601 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -10.244 -3.060 4.694 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -8.494 -2.725 7.302 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 9.303 2.443 19.908 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 10.422 -3.873 -5.523 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 3.387 -1.598 4.556 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 -16.024 -12.565 11.335 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 -9.308 20.770 5.763 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -5.601 -2.027 -2.482 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 -19.963 -24.357 -7.507 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -7.655 2.002 15.973 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 -1.376 1.029 -4.429 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -7.518 -3.618 0.713 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 4.849 8.883 -3.521 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 3.415 -4.282 3.707 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 3.450 -21.071 -4.669 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -1.589 9.960 -13.310 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -3.032 -0.619 2.466 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -9.949 -35.820 7.146 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 3.968 5.284 -1.812 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 5.647 5.487 0.092 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 9.762 -3.596 -12.002 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 -4.827 -1.912 -15.967 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 1.501 -1.483 3.888 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 -1.815 -3.202 -14.629 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 11.039 7.640 -1.753 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 3.809 -2.745 -2.369 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 0.625 -5.754 5.986 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 5.668 21.855 3.420 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -3.853 2.451 4.811 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 1.767 8.382 -7.903 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -21.383 -20.504 10.251 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 0.763 8.270 -2.487 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 4.551 4.253 14.794 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 -6.513 17.680 -9.561 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -5.329 -3.675 5.641 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 -1.613 7.096 18.370 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -11.332 -15.195 15.922 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 -2.718 -1.740 3.062 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 8.663 13.057 -20.986 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 -3.169 -23.034 -15.756 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 4.813 -6.313 0.330 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 -10.494 -18.204 -39.059 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 6.871 -6.466 -13.233 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 4.361 -1.699 -2.307 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 3.565 -6.756 10.792 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 -8.525 0.979 -0.765 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -7.464 0.320 6.982 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 -19.130 15.142 10.774 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 9.236 4.153 7.688 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 -2.418 -0.440 -7.343 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 9.978 -9.114 -6.664 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -5.878 2.683 -7.550 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 -1.974 0.138 4.367 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -21.253 -18.142 -8.968 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 17.552 -24.604 -20.027 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 -2.634 0.019 4.924 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -3.252 -2.607 5.654 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 1.370 12.515 -3.121 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 0.214 6.956 -6.433 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 0.732 10.940 2.495 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 -11.979 8.223 -2.493 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 -0.820 -2.579 0.689 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -21.485 -18.680 -27.191 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 20.212 -4.962 -17.100 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 2.950 2.914 2.758 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -0.923 2.557 -6.206 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 -18.683 -4.123 16.253 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 1.373 -1.110 4.920 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 10.252 -1.215 -6.298 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 14.087 -0.487 -5.755 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -0.032 -0.297 2.226 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 1.354 3.824 24.617 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 4.865 8.857 4.965 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 2.177 0.380 0.529 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 3.913 10.619 -16.380 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 -9.741 -6.316 3.820 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 1.634 0.550 1.119 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 11.082 5.404 -2.315 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -4.347 -1.440 -8.908 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 0.057 -1.411 6.705 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 -21.700 -2.815 -0.500 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 30.815 -2.653 0.776 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 -2.129 -0.499 3.483 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 4.020 20.847 -6.416 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -1.666 0.195 10.672 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -4.443 -2.300 1.163 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 5.792 -22.116 -0.028 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 14.060 12.856 5.506 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 3.366 -0.743 -3.911 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 2.063 25.318 9.089 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 2.523 4.846 -25.051 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 -2.289 -3.459 -1.562 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 6.166 -4.300 3.473 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -16.944 3.899 6.851 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 1.982 -2.445 4.445 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 9.593 10.355 9.074 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 2.985 -14.783 19.223 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 -4.737 -1.297 -2.251 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 0.386 2.341 1.619 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 -2.668 -0.190 -1.497 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 4.684 0.935 0.395 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 -3.200 -18.487 -3.896 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 -1.432 -17.121 23.578 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -3.914 -2.388 2.970 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -3.471 -12.025 4.199 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -3.585 11.224 1.658 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -0.465 3.076 1.935 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 2.911 0.354 -15.386 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -6.204 0.611 15.909 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 -1.991 -4.015 -1.131 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -7.762 12.594 12.424 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -19.743 -12.301 -16.378 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -1.382 10.289 -5.904 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -0.375 3.090 -37.133 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -4.910 -6.014 12.838 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 2.992 1.314 -2.309 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 5.708 -27.099 -29.239 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 8.210 19.962 4.295 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 -6.160 -7.209 0.802 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -20.946 -6.320 1.409 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 -2.616 -9.727 -3.851 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -2.037 -8.580 -3.710 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 7.797 7.318 22.870 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 13.972 -14.918 5.475 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -0.243 -1.976 -0.808 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -7.070 -2.999 15.570 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 1.247 -1.748 -0.771 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -7.839 -7.585 4.432 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -8.027 -7.045 3.592 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -16.055 0.599 6.025 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 -1.552 -4.296 3.552 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 0.023 -3.519 -1.865 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 -5.174 -6.215 16.578 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 -2.211 -2.745 -5.335 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 20.443 13.908 -11.602 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -8.256 -9.645 -17.288 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 3.162 6.240 1.696 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 4.372 5.147 -1.288 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 10.713 3.499 -4.990 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -1.458 0.465 -1.197 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 0.360 3.212 0.730 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -4.639 -4.785 -1.757 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 1.484 1.064 -5.259 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -4.988 -15.450 -0.682 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 1.774 -0.039 -5.196 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 1.316 4.571 2.096 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 23.328 2.105 10.705 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 16.246 -5.760 7.307 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -3.245 2.189 -4.117 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 1.652 3.019 -9.191 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -6.950 -0.402 -4.922 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 8.645 -5.633 -3.494 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 5.954 1.575 -11.109 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 11.182 -10.577 -14.450 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 1.747 5.112 6.357 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 4.214 0.770 2.091 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 3.253 -2.590 -0.941 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 0.323 -0.164 5.422 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 12.466 -29.380 -12.550 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -6.755 20.642 17.626 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 1.274 -5.340 5.776 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -7.170 8.428 7.476 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 -4.025 -13.918 5.710 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 3.351 -0.905 -7.352 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 16.156 -8.173 -9.073 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 -11.740 -19.949 -13.127 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 1.450 5.735 3.294 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 4.433 4.568 16.114 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -14.477 7.162 -2.659 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 1.313 -3.923 -4.430 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -15.047 15.488 6.219 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 -2.398 -13.178 -17.994 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 -5.247 -5.297 -3.765 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 8.043 -9.675 9.215 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -31.687 -1.074 9.113 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -0.615 2.621 5.972 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 23.882 7.791 15.576 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 18.825 5.540 16.839 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 -8.326 -5.178 -7.603 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -19.211 -3.169 -17.438 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 -12.838 2.336 4.300 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -1.076 2.938 -1.618 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -16.597 2.007 -18.360 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -7.344 1.943 3.530 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 0.452 1.442 -5.507 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 -13.693 -4.491 0.736 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 6.428 2.984 -5.930 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -3.531 0.853 -4.636 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -2.011 18.356 -12.762 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 -6.860 7.370 22.526 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 5.107 0.774 -6.194 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 4.543 2.515 1.504 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 27.464 5.491 -13.210 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 -2.655 -6.463 -2.751 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 5.619 17.357 -8.104 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 0.179 -19.925 -24.502 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -1.534 0.063 -4.108 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 -0.272 10.846 -13.713 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -9.515 4.363 -15.407 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 5.539 0.411 1.289 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 3.837 -1.371 -0.188 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 9.712 5.634 6.214 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 1.433 -0.385 -4.296 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 15.795 12.415 -8.077 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -10.952 -7.497 -3.816 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 -5.018 -0.095 -1.608 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 11.890 13.398 11.057 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 7.550 -2.287 6.417 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 -0.534 6.272 0.474 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 6.973 -23.922 -10.761 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -12.337 -3.206 14.494 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 1.530 4.583 -4.754 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 -3.984 -6.408 -1.695 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 -7.307 13.834 -20.747 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -1.561 3.909 -4.315 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 6.873 0.348 -3.213 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 -8.734 -4.638 -3.589 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 1.310 -3.657 -7.364 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 -4.965 -0.795 -15.157 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -0.772 3.298 -6.584 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 5.390 2.779 0.780 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 5.973 -2.919 -2.905 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 17.560 6.968 5.176 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -2.191 -2.935 -4.368 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 0.940 0.761 10.498 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 5.501 7.165 -10.995 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -0.906 1.242 5.598 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -13.128 -5.368 11.159 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -36.429 -3.193 18.359 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 2.038 -2.154 -1.973 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 6.314 -5.368 0.454 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -12.193 3.840 -12.271 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 8.969 3.872 -1.344 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 7.965 17.335 14.084 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 7.546 15.518 -3.306 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -11.425 -7.919 3.656 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 -7.650 7.638 5.872 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -7.127 8.976 6.077 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 3.016 0.982 3.071 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 6.415 1.199 -0.517 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 11.242 -2.245 -6.800 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 -1.437 6.082 0.462 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 1.226 21.646 -0.281 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 -24.428 -8.530 -23.140 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 5.166 4.023 2.024 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 1.458 11.863 9.132 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 1.920 -4.106 -26.396 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -0.884 1.167 -0.404 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -1.322 4.334 -9.589 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 -4.521 -2.794 10.531 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 5.304 -1.291 4.384 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 4.553 -20.051 -3.182 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -16.981 14.398 -12.952 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 5.283 -3.780 1.069 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 -13.174 -17.175 12.648 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -0.573 4.328 -7.383 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 13.674 -0.284 1.336 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 16.502 6.232 -12.537 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 12.014 6.522 -1.256 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -7.115 7.806 -1.098 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 -24.726 -15.044 -5.895 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 15.984 16.730 26.669 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -1.414 -0.461 -1.247 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 -0.041 -0.564 3.359 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 4.299 1.270 -3.469 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 -2.893 1.985 7.329 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 10.381 -15.855 18.520 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 12.372 -7.411 2.199 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 -0.240 8.646 -0.895 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 12.588 18.303 -2.698 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 -16.809 -13.180 10.754 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 3.408 11.838 -1.040 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 15.464 23.373 -1.685 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 11.827 20.547 21.083 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -5.737 -0.578 -0.588 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 30.222 14.154 16.632 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 -0.177 -1.982 -4.035 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -2.248 -0.011 -3.062 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 -10.405 -6.502 18.100 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -1.474 2.226 6.620 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 1.099 -3.723 -2.962 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -3.955 6.776 -14.594 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 2.217 -8.630 -3.268 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 5.028 -2.344 -0.955 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -3.302 -9.311 0.997 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 3.213 11.899 -11.150 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 2.649 -0.651 0.194 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 11.944 21.595 -36.678 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -22.306 13.008 22.960 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 4.917 8.023 1.501 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -4.934 10.896 15.729 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 2.026 12.606 4.867 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 1.309 -0.488 -2.661 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 1.485 10.744 -8.626 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 1.284 -11.888 0.829 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -0.481 -8.929 -2.863 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 -3.022 -2.607 0.959 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 6.642 -2.390 6.514 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 5.531 -0.920 0.219 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 3.705 -17.046 26.824 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 -15.477 -14.727 -17.468 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -0.510 2.602 2.524 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -6.429 -12.389 0.627 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 16.209 -5.929 -3.589 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 0.135 -1.976 -4.204 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 4.534 0.617 -2.553 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 -4.320 -0.241 -1.027 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -2.524 -6.700 -2.584 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 1.066 4.014 8.747 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -13.619 -4.597 14.912 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 6.504 -0.472 1.541 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 -4.374 6.328 6.260 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 1.035 -11.618 -4.452 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 -1.772 -8.892 -0.896 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 -1.697 -12.442 15.210 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -1.853 -12.747 16.991 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 -7.291 6.019 3.290 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 -16.454 4.374 21.937 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 4.197 3.255 -9.819 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 3.444 -1.559 0.396 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 3.835 15.781 7.657 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -14.285 9.328 -5.092 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 1.181 4.173 2.178 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 -9.198 0.835 12.621 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 8.412 3.916 11.918 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 0.936 -3.083 -0.179 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 11.926 2.611 11.208 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 13.696 16.769 0.033 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 0.171 -2.728 5.463 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 7.494 14.897 25.397 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 11.746 -1.435 19.524 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 4.574 5.177 1.061 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 27.339 1.826 2.641 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 7.141 7.834 -8.557 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -0.862 -3.341 5.454 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 10.542 12.282 -12.247 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 -9.538 -12.289 21.980 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 -1.184 2.470 4.024 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -10.034 2.320 7.277 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 3.549 -6.299 30.516 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 -3.001 -1.745 -3.219 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 4.115 2.571 -0.665 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -1.585 -8.384 -0.595 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -4.761 -0.050 -6.482 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -1.604 0.532 -6.377 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 -1.133 -2.470 -6.927 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -2.716 0.450 2.421 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 -17.988 5.286 16.061 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -11.023 -4.808 -13.959 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 3.364 -1.118 -3.071 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 11.406 -8.459 -3.002 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 7.297 -4.888 -7.595 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 2.010 0.712 0.928 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -10.848 -12.626 21.747 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 15.762 -14.638 16.145 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 -0.989 5.061 1.655 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 11.815 10.242 9.012 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 10.064 7.545 3.732 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 -1.765 8.334 -2.028 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 3.097 -10.596 -11.906 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -22.015 2.044 -15.590 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 -0.145 -1.552 -1.503 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 -7.095 6.941 -2.633 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 -5.319 -13.380 10.351 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 -1.369 3.726 -4.746 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 0.768 -0.068 8.229 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 14.016 37.515 5.678 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 3.647 -5.156 9.240 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -15.586 3.769 2.506 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -9.111 24.026 -10.568 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 3.989 0.396 -2.671 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 26.327 -10.046 -25.670 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -20.647 -11.089 20.451 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -11.349 -1.402 -2.747 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 10.088 8.612 0.956 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 -7.010 25.853 -24.615 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 2.486 2.500 -0.553 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -2.286 -1.499 2.050 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -16.848 8.295 7.784 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 2.082 -5.832 -7.959 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 -17.047 -3.501 -13.740 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -2.063 -8.818 9.119 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 -2.992 7.322 0.167 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 6.872 -0.763 -14.924 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 -1.314 -13.340 13.442 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 5.842 0.009 2.859 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 -6.054 10.527 3.878 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 10.356 -9.584 25.493 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 3.976 0.542 -0.821 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 17.988 23.736 -22.498 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 13.973 -14.538 3.731 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 -5.653 -6.096 2.817 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 -11.161 1.328 16.837 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -8.762 11.327 1.443 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 3.620 3.496 -4.281 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 8.283 -0.002 -4.661 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 0.187 7.026 -3.109 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -3.110 1.124 -5.722 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 -5.479 -8.446 -12.057 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -2.340 1.870 -5.443 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 1.584 0.980 0.896 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 -7.374 -9.967 9.314 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 -7.413 -9.305 -11.227 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 -3.581 6.838 -5.266 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 -1.988 6.629 -3.687 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 -7.028 10.303 -4.838 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -1.444 0.596 -1.095 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -20.119 3.917 -15.045 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -12.508 11.818 6.521 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 2.068 2.115 -5.468 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 -2.065 1.904 -14.406 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 14.356 -13.421 -28.850 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 -0.899 -2.946 -3.010 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -13.116 -3.388 -13.393 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 0.636 0.328 7.454 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -2.212 2.945 0.481 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 5.666 19.798 8.946 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 -14.766 -4.900 2.046 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 7.738 -0.821 5.798 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 30.647 -21.466 -16.449 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 -24.409 0.225 26.321 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 8.477 1.820 3.399 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 10.882 -7.736 5.810 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 3.979 -22.664 -1.186 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 -1.264 3.591 -0.962 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 9.736 12.355 9.270 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 1.812 5.608 3.157 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 2.799 -3.773 4.736 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 5.377 -16.542 -22.418 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 -3.847 6.643 -9.998 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -1.594 8.869 -8.808 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 17.217 32.239 -0.085 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 15.781 -21.399 -17.764 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 6.974 3.360 -5.217 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 1.514 -15.759 -1.188 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 7.593 25.975 -6.791 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 -6.219 -2.904 -2.921 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 8.651 10.954 9.013 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 13.853 -10.685 -13.148 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 0.979 -7.231 -4.099 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -1.959 -0.246 -22.974 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 1.857 -4.473 11.068 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 1.212 -5.091 -6.007 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 12.393 -7.413 3.454 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 0.165 -4.427 -3.577 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 -4.518 0.473 -4.631 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -31.307 21.257 2.436 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -4.437 -17.973 -7.026 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 0.625 -5.707 -6.902 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 0.704 -15.438 -1.569 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 0.667 -17.263 -3.250 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -2.339 -5.822 4.311 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 -5.236 -16.064 -7.334 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -1.184 -3.723 -0.799 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 0.503 2.536 -1.097 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -16.054 5.870 13.495 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -7.054 -12.120 16.170 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -2.433 -5.044 3.503 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 0.293 2.614 2.821 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 3.060 0.027 2.610 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -4.464 -3.061 1.859 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 0.765 -2.925 -2.262 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 10.789 18.394 20.207 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -2.464 0.451 -1.504 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -18.845 22.754 -23.272 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 15.369 3.038 -6.839 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 5.852 -2.056 4.284 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 17.692 -25.924 -5.445 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -3.802 6.991 5.309 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 0.650 -1.661 2.029 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -7.840 10.054 -10.734 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 10.699 5.324 7.915 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 -5.965 -2.558 -0.485 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -8.194 -5.267 -2.735 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 8.023 2.420 -7.705 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 -7.379 2.457 4.682 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 -19.032 -10.494 -3.216 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 16.473 -7.039 -8.412 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 1.292 2.774 4.510 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 8.726 -5.624 -20.251 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -12.591 -8.568 18.836 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 9.021 -2.839 -0.199 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 9.149 -3.311 -0.800 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 16.339 1.118 -6.800 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 -4.186 0.573 -2.220 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 15.589 2.742 1.518 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 -11.721 12.296 11.428 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -7.863 -1.799 -1.002 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 3.737 12.302 8.808 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 -14.980 -4.345 -2.915 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 6.710 0.510 3.802 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 4.390 -20.130 4.220 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 23.372 6.377 11.291 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -8.356 2.261 -2.078 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 -1.847 3.670 -5.877 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -11.492 6.779 -7.478 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 4.149 -0.518 -1.675 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 4.479 -5.535 -1.226 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 3.112 -4.687 1.910 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -3.265 -7.336 7.297 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -2.326 -5.296 5.259 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 6.028 5.735 -5.153 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 0.530 1.781 6.130 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -20.167 17.020 18.266 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 6.821 -4.892 -5.691 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 1.986 5.705 8.587 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 2.982 6.863 9.887 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 11.752 -1.876 14.156 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -3.276 -2.595 -2.517 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 7.689 13.810 21.928 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 -14.370 -10.308 -15.582 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 7.262 -1.854 2.723 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -14.204 -13.326 7.426 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 19.461 -9.014 3.099 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -0.377 1.028 3.004 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 -4.133 2.145 -8.004 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -0.437 2.567 8.967 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 0.616 0.302 -1.706 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 10.038 -2.775 -3.947 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 -2.902 11.363 23.244 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 -4.152 4.071 2.358 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -4.499 21.303 18.496 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -9.472 -16.107 11.661 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -5.706 -1.477 1.774 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -3.920 2.868 -2.580 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -5.175 1.692 -6.555 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 -2.852 0.210 4.348 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 13.660 0.495 1.096 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 13.646 -0.007 -0.140 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -7.943 3.335 2.059 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -7.074 -4.513 4.363 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -10.113 8.095 -0.448 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 2.463 2.230 -2.650 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 -36.237 -0.939 0.726 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 7.104 -0.399 -18.235 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 3.634 0.073 4.713 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 6.702 10.304 -2.340 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 10.640 7.226 -4.802 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 0.987 2.273 3.216 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 5.878 -5.704 -6.988 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 11.653 2.958 12.845 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 10.521 -1.712 -7.341 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 -5.778 13.066 12.162 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 32.187 16.523 -14.283 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 1.194 -6.793 -0.506 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -11.737 -5.851 4.919 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -3.088 2.361 -12.531 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 -1.625 -0.837 1.924 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -2.196 4.587 -6.977 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 15.412 16.997 -7.380 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 1.111 2.008 -3.965 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 -4.971 9.378 1.212 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 3.660 -15.104 -3.619 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 2.204 -2.365 -2.770 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -22.863 -20.408 0.274 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -1.015 -13.508 -10.849 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 -2.947 5.071 -3.454 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 29.210 7.047 4.661 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 8.162 -5.546 -28.577 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 -1.544 -6.737 4.577 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 -19.599 12.732 15.431 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 7.750 -14.575 -5.559 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 3.892 1.563 1.413 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 13.535 -15.811 19.809 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 11.677 14.673 -2.869 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 6.349 -1.505 -3.786 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 17.463 -5.669 -1.550 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -6.522 11.018 -15.588 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 1.643 0.125 0.552 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 10.465 1.806 6.918 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -17.841 -3.295 -12.131 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 -3.299 1.758 -2.488 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -6.559 10.701 -16.053 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 -5.646 7.002 -0.857 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 -0.712 2.052 0.542 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 13.127 12.990 -36.939 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 8.494 -3.840 6.792 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -0.841 3.962 3.564 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -2.206 4.012 3.577 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 -7.119 2.662 1.574 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 -3.463 0.539 1.243 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -8.401 12.542 -9.443 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 0.284 -4.862 -8.984 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 2.856 2.760 9.956 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 5.810 8.042 -1.038 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 -2.487 -6.904 -11.134 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 -4.007 -0.527 1.585 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 4.202 -2.322 -2.486 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 25.597 -5.237 -14.871 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 0.900 1.545 -1.692 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 8.704 -1.621 -2.320 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 0.765 19.470 3.049 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -2.902 2.901 5.810 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 3.791 1.525 0.499 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 -1.354 -3.301 11.167 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -3.921 -2.295 0.384 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 7.977 0.385 5.735 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 11.918 22.297 20.882 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -3.640 0.198 2.221 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 4.845 5.175 6.370 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 -47.103 -9.149 -17.288 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -12.773 -0.126 -0.118 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -6.735 -13.525 19.472 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 -7.286 -11.651 19.231 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 -2.560 -2.232 -6.020 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 11.510 7.089 8.203 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 -8.256 12.473 7.131 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 0.878 0.780 3.368 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -9.598 -3.935 0.324 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 14.043 -10.297 2.496 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 4.266 -0.246 2.796 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 -18.087 -11.522 12.203 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 10.802 4.017 10.685 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -6.333 0.125 -0.053 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -16.730 8.483 -6.124 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 5.492 11.812 -0.710 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 2.486 2.122 1.414 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 -1.962 -2.099 7.917 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -6.342 5.572 -7.818 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 7.564 -6.264 6.532 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 12.177 -18.966 10.241 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -6.217 18.364 -0.523 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -6.091 0.954 2.949 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 -7.116 -3.181 4.044 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 51.801 22.390 -4.574 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 -5.058 -2.219 -5.902 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 -20.415 -7.329 5.774 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -8.712 -6.891 3.113 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 2.163 -0.293 0.921 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 9.849 1.156 -4.369 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 5.001 -5.348 8.620 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 1.369 -4.887 -2.249 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 -10.696 -3.533 3.493 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -4.851 -6.942 -3.289 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 6.622 0.906 2.003 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -0.603 -3.609 -6.727 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 1.838 -0.426 -4.254 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 3.078 -1.152 -3.335 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 8.883 -1.249 -8.354 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -6.549 1.235 7.582 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 1.159 0.888 -2.407 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 -2.685 -6.011 7.486 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 0.583 -3.045 -1.525 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 -1.062 -0.971 -9.826 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 2.638 2.307 -2.267 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 -0.733 -9.626 -3.426 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 1.932 3.800 1.847 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 -17.592 7.063 11.277 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 -12.404 16.067 -13.640 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 5.673 -3.496 1.446 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 7.716 11.802 -8.866 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 0.912 14.672 -3.958 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 3.918 6.099 7.726 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 -1.712 -11.779 14.066 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 26.173 10.064 -5.187 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 2.899 1.148 -3.726 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -2.473 -21.412 -0.834 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -3.253 -0.126 -12.454 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -3.556 6.145 1.082 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 9.218 1.098 -12.279 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 3.590 -1.342 3.237 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 -9.240 4.890 3.004 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 -1.554 -8.606 29.162 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 -8.137 -6.670 -2.151 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 3.845 -0.609 -1.149 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 10.798 -1.844 11.177 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -1.315 -15.863 1.688 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 6.234 -3.345 1.254 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 6.119 -5.565 -11.598 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 -11.802 -3.533 -7.963 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 5.741 3.473 -0.699 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 1.536 3.798 7.147 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 13.646 -2.578 0.795 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 0.065 6.046 -3.275 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 6.310 -4.893 33.792 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -5.659 2.343 -22.199 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 -1.138 -5.055 -4.154 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -6.772 -10.786 -25.859 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 -0.370 -6.271 0.658 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -2.579 -0.807 -5.056 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 -10.277 8.433 11.731 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 30.973 6.222 13.463 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -0.747 3.678 -0.668 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 -12.221 -2.249 -0.112 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 9.748 -9.461 -5.503 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 -3.377 -1.030 -0.742 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 -5.169 -1.909 -5.273 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 4.759 8.435 -7.484 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 7.511 -2.387 -2.129 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 -28.980 -21.610 -21.858 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 1.513 19.256 5.523 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 2.279 2.637 1.397 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 15.341 5.428 1.388 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 -12.470 17.731 -7.644 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 1.991 -1.202 -4.045 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 5.056 12.767 -12.943 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 11.624 2.107 22.740 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 0.474 1.577 0.941 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 7.369 11.353 -12.247 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 9.590 -2.750 10.618 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 7.451 2.786 1.065 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 -5.689 13.596 -3.255 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 10.242 -12.868 -9.042 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -0.020 -2.451 13.408 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 3.653 -0.362 20.094 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -5.806 4.191 -4.364 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 0.756 -5.592 2.710 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 -8.987 -2.807 -7.269 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 2.975 1.260 -14.575 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 1.939 -0.274 -5.366 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 3.573 -0.426 19.108 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 0.431 -1.075 -28.418 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 -1.790 3.738 -4.259 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 -0.189 -13.795 7.159 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 11.470 -9.750 9.246 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -1.923 4.102 -1.134 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 20.847 -9.384 7.724 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 -18.879 -3.042 -9.275 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 6.280 3.527 0.220 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 24.026 -2.095 -21.358 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 12.723 -20.304 25.240 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 3.322 -3.034 -4.888 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 0.394 -9.506 5.327 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 7.749 -2.194 -8.967 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 2.111 -0.710 4.308 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 13.604 -5.987 9.332 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -10.615 6.502 -0.980 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -0.565 -0.555 2.737 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 3.645 -3.657 -11.067 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -1.878 14.860 1.154 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 -1.165 -1.020 -1.289 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 8.033 11.988 -0.596 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 3.407 -25.830 -10.938 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -2.847 -1.005 3.828 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 6.540 10.623 15.783 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 4.392 -12.437 -21.824 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 -5.598 -1.161 0.619 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -1.981 22.481 32.200 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 -12.862 -0.453 -22.842 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -0.158 0.097 7.541 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 -19.855 -0.607 -4.934 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 22.354 14.296 11.318 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 -1.494 0.834 -1.448 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 9.101 -1.744 0.159 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 9.590 -13.372 35.535 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 2.611 -7.506 1.184 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 -4.786 0.641 -1.882 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -0.264 -3.965 2.373 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 2.299 6.494 -2.946 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 6.004 -3.490 -11.533 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 -5.111 -0.784 -14.838 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 -3.186 0.062 1.390 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -8.105 -0.090 -1.110 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 6.071 -14.699 -17.476 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 8.344 1.243 -2.937 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 17.241 -0.312 -32.117 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 0.838 22.867 5.252 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 5.924 -4.588 -1.022 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 2.618 17.161 -14.906 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 -0.154 -0.872 -3.658 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 3.763 3.352 -0.078 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 -7.451 -6.820 6.566 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 14.373 -5.287 -11.056 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 6.690 -2.842 -1.608 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 17.639 -19.616 -8.617 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 9.116 -24.613 4.775 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 5.796 -1.167 -6.351 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 1.243 -15.593 -4.308 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 10.630 9.540 -21.111 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 7.105 7.960 3.712 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 0.355 -3.210 8.025 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 -1.067 9.846 -3.301 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -1.059 -3.758 7.485 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 0.556 -9.550 -26.355 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 11.568 -24.917 -9.002 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 1.145 1.336 -5.275 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 3.275 19.057 -23.236 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 2.532 -30.398 18.353 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 2.586 2.148 -0.813 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 8.113 3.224 0.044 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 8.837 1.882 -25.255 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 -2.143 0.969 -1.034 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -1.652 -5.703 -0.384 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -17.458 -39.240 -5.607 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -0.743 -5.976 -0.956 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 20.718 -17.218 30.049 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 0.492 -6.289 7.929 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -5.598 4.352 -1.577 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 -1.167 -0.374 4.529 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 -4.031 3.982 3.119 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 -2.467 -3.782 2.708 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 -10.048 -16.932 12.595 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -12.182 12.084 -1.345 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 5.768 -2.440 -9.002 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 19.001 -18.104 -12.411 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 -0.134 -7.620 -19.084 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 2.138 -3.016 2.256 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 -24.137 5.739 4.807 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 12.854 -15.862 -16.563 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 1.667 -3.301 -0.979 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 0.208 10.624 -3.835 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 0.547 -1.405 9.823 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 2.618 5.915 0.992 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 24.661 -0.984 0.694 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -7.246 9.462 -9.911 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -0.995 2.815 0.699 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -16.153 -3.360 2.239 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 1.919 -5.432 -9.906 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 2.240 0.247 4.445 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 -1.014 10.810 -6.619 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 15.586 -12.722 4.112 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -1.636 -2.679 0.682 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 -0.702 -7.048 2.222 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -4.781 12.523 -1.720 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 -5.279 2.665 -3.870 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 -12.229 0.670 -6.329 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 11.482 3.392 9.116 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 2.107 4.716 -0.423 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 -24.356 16.003 1.728 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 29.508 -3.735 -3.805 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 0.985 4.431 -3.860 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -2.084 2.061 -30.402 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 -7.752 -15.436 9.341 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -2.742 -2.466 8.608 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -3.553 -5.652 16.247 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -1.421 4.049 -11.485 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 -0.194 -4.346 -0.636 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 9.900 0.676 3.409 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -12.068 -33.119 -1.168 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 2.625 3.644 -1.038 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 -33.625 -3.913 30.362 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 2.980 -38.284 7.046 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 1.654 -1.897 -0.290 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 10.134 -1.542 5.856 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 15.262 -18.211 -19.955 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 -3.760 1.745 5.530 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 16.841 12.722 12.887 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 -4.000 7.960 -16.897 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 -0.124 -1.266 -0.349 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 -13.477 -12.169 6.891 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -2.510 -9.777 -0.615 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 5.148 8.790 0.353 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 -7.290 -3.040 -8.803 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -11.249 -2.967 3.767 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 7.448 5.275 -6.030 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -6.192 -11.787 -4.866 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 5.370 29.131 11.047 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -0.895 -0.905 0.520 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -1.615 -2.742 -0.827 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 -3.642 -1.498 0.086 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -0.819 0.130 -0.786 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -0.941 2.512 -3.922 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 2.159 -9.562 1.015 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 4.247 -1.045 2.252 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 -0.407 -3.664 -2.402 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 7.493 3.336 -5.318 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 4.643 0.201 -1.441 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 -12.775 14.670 11.490 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 20.489 -4.882 -4.047 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 -0.090 1.513 6.309 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -8.131 -3.778 14.462 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 5.736 5.533 0.158 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -0.617 -0.347 -2.998 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -6.704 -4.077 -6.136 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -7.140 20.278 13.096 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 3.087 3.800 1.129 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 22.781 5.535 5.835 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 6.681 14.225 13.071 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 -5.028 4.306 7.588 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -2.035 15.114 0.160 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 -5.939 -0.654 11.624 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 -0.682 2.314 -5.074 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 9.246 -16.823 30.620 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 18.108 4.306 -21.048 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 -1.033 -3.773 -0.216 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -7.575 1.934 -4.031 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 9.109 -4.423 1.360 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -3.558 -5.930 -1.771 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 -15.518 12.357 -23.733 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 -4.229 -1.963 -6.666 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -6.106 1.761 5.531 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 -21.771 -12.170 -32.288 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -22.651 6.332 37.410 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -5.647 3.340 -1.289 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 -11.592 8.032 24.317 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 4.710 -6.183 -47.042 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 9.984 1.795 0.268 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 -2.451 30.261 -27.213 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -6.090 -26.646 -15.194 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -3.381 10.387 2.675 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 -26.337 -19.362 -5.078 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -1.861 10.366 5.483 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 -0.460 0.229 -3.740 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -1.814 3.067 -9.868 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 -14.379 31.000 -10.472 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 3.145 -3.200 3.037 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 3.896 -1.637 0.077 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 13.079 3.937 -10.765 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 -2.321 -7.557 0.141 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -2.233 -7.287 -0.059 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 3.799 -19.287 2.758 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 1.265 -4.796 1.114 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -5.450 -26.300 12.909 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 5.983 2.890 30.905 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 -1.232 -5.140 3.854 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 5.565 -5.692 4.467 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -10.590 11.015 10.043 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 -2.711 0.528 -0.226 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 -21.517 7.236 -16.641 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 -14.187 -2.622 20.810 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -3.761 -2.997 -0.784 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -1.843 17.834 17.607 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -1.961 10.146 -1.251 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 0.714 -0.031 2.701 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 0.002 -4.956 2.348 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 0.403 -4.955 1.962 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 3.934 4.496 6.223 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 1.158 -2.869 11.383 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 8.270 14.378 -1.836 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 4.687 -5.652 -1.219 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -8.459 6.331 -13.128 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 7.291 -1.881 -24.492 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 -2.994 9.685 -5.382 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 1.607 6.692 -9.790 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -0.085 11.233 -3.385 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 3.770 2.987 3.204 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 5.657 24.356 -10.212 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 11.575 -21.405 11.814 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 5.852 1.302 -0.682 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -4.480 -8.897 -4.379 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 -13.557 21.285 -1.847 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 7.939 0.790 -3.817 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -9.437 -13.761 3.518 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -4.909 16.925 -19.406 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 0.655 2.096 5.542 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 6.505 1.647 -3.287 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 -2.129 2.204 10.285 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -1.398 1.829 5.367 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 7.127 10.827 1.832 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 -3.459 -1.104 3.586 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 -6.756 -4.226 -4.998 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 12.613 -19.520 -5.294 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -10.561 2.279 -4.482 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 -8.046 -5.772 1.473 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -10.863 -3.989 -10.122 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 -0.866 -12.231 41.810 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -3.405 -0.249 -0.648 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -5.781 5.851 -1.016 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 -6.576 -9.502 0.208 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 1.674 4.988 -6.054 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 -20.786 -3.882 0.433 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 8.740 9.409 -6.311 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 1.428 7.757 3.454 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 4.612 13.596 -5.132 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -11.325 9.366 7.586 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -1.905 2.511 -0.115 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -0.029 6.662 -3.221 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -1.452 5.651 -1.317 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 2.349 -0.391 -0.586 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 16.287 -15.373 27.176 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -7.114 4.046 -0.029 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 1.561 0.162 -1.439 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 18.697 -16.975 -1.524 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 0.255 11.487 13.042 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -1.462 0.012 -4.765 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 6.892 -16.521 2.606 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -17.950 22.168 -28.313 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 1.566 5.165 1.381 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -3.647 5.174 -5.040 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 1.867 -5.017 -1.247 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -1.457 9.136 -4.511 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -18.363 0.902 27.782 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 6.567 4.675 -13.264 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 4.590 0.461 1.597 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 -19.643 4.310 2.645 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 -4.841 16.669 10.003 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 -0.395 -0.389 0.798 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 -2.624 2.598 -19.978 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 -5.871 28.623 12.945 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 -2.161 -2.262 6.981 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -4.886 -3.725 9.514 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -14.625 29.313 0.668 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 -4.429 -1.040 -6.337 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -5.489 21.725 -0.916 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -23.276 18.319 -15.253 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 -3.002 -5.311 -9.328 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 -11.701 -14.608 -15.631 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 8.640 -12.599 -8.153 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 7.528 2.593 4.367 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 17.480 -0.563 1.314 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 -4.359 -3.624 -0.515 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 -0.721 1.136 -0.910 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 0.579 1.235 -1.807 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -15.059 2.535 -0.305 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -1.189 1.765 6.249 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 21.055 -5.192 -8.694 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 4.397 13.607 26.028 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 0.637 3.501 -1.183 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 20.240 -14.141 7.194 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -20.297 8.894 17.508 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -3.401 0.028 -2.423 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -1.569 -9.006 8.158 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -1.315 -5.005 -7.027 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 -10.862 1.878 -7.095 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 -19.218 -16.540 -18.772 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 -13.347 -5.740 -10.031 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 0.504 4.256 -1.134 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 9.634 34.494 4.439 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 10.752 -9.270 -34.679 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -6.761 -0.478 -0.546 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 -4.699 6.102 6.498 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 -4.521 3.907 4.118 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -2.879 -2.649 -1.425 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -22.297 -0.062 10.598 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 1.484 11.090 1.375 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -5.972 -4.285 -4.709 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 13.593 -27.268 -8.800 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -7.923 7.316 -7.137 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 -2.229 3.614 -1.011 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 -7.155 0.215 -7.965 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 1.376 -4.846 2.414 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 8.877 -8.692 0.778 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 10.547 -11.369 -6.481 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 13.961 -4.894 -11.977 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -4.272 -4.565 7.962 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -15.568 13.714 -13.591 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -14.878 4.959 -18.496 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 3.933 3.772 -0.444 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 7.076 -20.265 11.581 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 20.057 -0.611 26.003 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 -8.119 -2.883 2.283 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -0.635 11.191 16.089 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 -10.423 -3.615 15.784 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 0.116 -0.035 -3.131 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 -0.719 4.993 -7.622 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -0.340 9.118 -6.440 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 0.481 0.774 -4.778 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 8.087 -2.823 -5.955 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 -0.022 2.902 4.004 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 -3.976 3.153 -1.338 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 -21.723 -0.647 -13.735 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 16.791 5.577 9.230 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -5.184 -1.249 -6.121 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 4.004 9.808 -12.601 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 -0.780 4.455 -3.565 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 2.446 3.069 -1.258 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -4.393 -20.493 3.013 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 6.037 -7.303 -3.613 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 -1.448 -2.352 -1.767 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 15.194 -3.916 -4.546 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 -15.791 -1.496 2.224 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -3.880 5.982 1.304 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 -15.122 -10.914 -25.429 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -18.478 13.901 0.915 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 2.767 0.831 -2.181 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -11.065 21.826 6.461 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 6.323 7.489 -30.231 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 8.403 -2.950 -0.628 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 3.436 -1.477 -19.838 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 23.058 -14.365 4.226 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 -0.694 3.000 1.539 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 8.363 5.437 -4.695 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -20.149 -8.338 0.353 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -3.082 -0.480 -4.427 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 2.314 11.768 4.895 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -3.646 9.326 -5.671 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -2.584 -0.255 0.727 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 0.663 -15.165 2.765 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 2.175 29.591 1.334 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -1.569 -1.231 4.423 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -6.032 -11.006 -13.848 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 8.431 -10.868 -0.996 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 -6.745 -0.235 -1.559 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -4.901 9.163 -14.821 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 -24.074 -9.470 6.945 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 3.062 -2.331 0.408 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 2.517 -15.707 20.618 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -7.324 -14.721 1.025 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 2.490 3.246 -2.585 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 2.573 4.511 -2.511 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 3.042 34.271 5.921 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -6.449 -3.401 -5.020 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -11.981 -1.678 -5.369 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 -5.901 -6.673 2.880 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 -0.700 8.221 -8.399 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 9.570 -4.061 -17.492 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 4.263 6.097 6.688 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 -1.451 10.336 -5.362 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -6.157 16.933 -1.283 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 9.190 -5.226 -13.725 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -2.147 3.760 1.567 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 2.811 -0.703 -11.836 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -0.168 -5.857 5.260 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 -1.826 3.680 2.440 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 5.587 9.657 -5.303 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 -3.411 -15.306 -0.604 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -9.262 -4.696 -0.602 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 -7.354 -2.072 -1.776 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 -13.792 -7.438 1.875 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 -3.233 4.172 -1.646 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 23.982 12.546 -14.561 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 -23.897 1.207 6.164 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 1.528 -8.172 -1.866 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 -1.893 -13.458 -5.607 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -2.211 -9.220 -13.499 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -5.381 2.652 -2.372 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -5.550 7.168 8.157 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 9.806 -0.442 -4.984 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 0.022 0.184 -2.266 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -5.147 -9.989 4.800 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 -7.795 4.003 -7.512 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 4.013 -0.013 1.801 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 -30.178 -12.273 -18.921 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 -19.081 3.910 -14.947 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 -4.225 0.537 0.103 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 5.946 -3.089 0.536 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 -2.758 12.159 -2.587 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 1.635 1.455 -1.908 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 0.028 13.178 7.255 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -7.176 7.017 -15.764 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -1.715 -0.792 1.222 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 25.846 -7.642 -14.767 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 0.246 -3.241 4.104 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 0.975 2.710 5.551 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 11.447 -24.891 -5.015 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 1.309 -17.693 1.648 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 0.211 -0.123 9.787 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 -16.648 5.235 11.665 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 -6.205 2.904 31.773 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 -4.411 -0.918 -2.997 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -3.911 -9.509 1.415 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 -7.933 1.573 0.406 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 4.382 2.296 0.749 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 4.163 -6.259 -31.810 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 -9.277 21.992 2.130 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -5.635 2.935 -1.551 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -26.526 4.886 -0.241 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 0.541 3.259 29.064 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 1.495 -2.598 -2.685 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 5.033 -11.072 4.486 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 11.338 8.362 -6.815 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 1.042 -5.682 6.180 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -6.580 -17.380 27.878 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 6.187 -2.294 -4.314 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -4.606 2.046 1.708 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 -7.948 3.162 -2.722 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 4.960 0.558 -18.643 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 2.479 0.797 0.763 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -23.750 12.219 -9.555 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 -0.680 -28.038 -5.044 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 -1.102 2.194 4.916 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 -18.751 39.157 24.019 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 4.585 -3.561 2.336 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 3.928 -4.961 0.985 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 7.511 5.765 -13.348 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -11.993 -6.403 6.477 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -4.705 3.175 -3.824 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 -23.416 -10.868 -0.242 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 -12.819 -4.462 -8.047 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 3.295 -5.445 -3.886 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 0.689 -8.052 10.978 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 35.978 13.009 -14.551 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 1.110 -0.730 -3.294 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -9.593 -6.315 11.494 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 -0.777 9.524 14.848 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -7.297 0.271 3.925 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 1.910 -0.440 5.610 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 -7.936 15.209 -10.099 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -0.241 -1.016 -0.099 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 -2.648 8.203 21.827 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 0.371 18.778 -14.206 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -3.077 1.747 -0.600 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 -19.200 1.924 34.783 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -1.241 -11.292 10.060 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 2.772 -9.871 6.254 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -5.458 -23.821 6.775 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -11.255 10.181 -4.627 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 -4.137 -4.623 -5.232 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -14.983 0.256 -9.515 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 9.405 -8.433 -2.548 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 1.192 -2.906 -0.818 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 5.864 -22.887 0.963 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 32.176 2.913 -1.018 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -2.946 3.389 -0.562 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 1.993 -2.310 3.016 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 3.722 16.143 31.144 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -2.759 -0.120 0.786 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 3.615 -1.449 3.935 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -15.555 2.847 -7.633 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -2.384 5.774 -1.646 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 5.025 18.662 -13.128 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 5.534 19.503 -13.821 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 0.634 5.265 3.761 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 -13.966 6.657 4.718 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 9.829 -0.943 3.640 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 2.694 1.814 -6.808 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 8.508 19.486 -8.072 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 -19.074 -1.907 -16.795 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -3.851 -1.554 -6.267 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 9.809 -11.144 -13.197 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 -7.195 9.295 11.147 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -1.280 5.425 -2.862 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 -1.078 16.251 -13.392 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 10.943 2.713 -7.518 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 9.838 -3.550 0.961 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 -10.553 -5.214 4.801 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -18.182 -14.580 -3.270 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 8.137 -8.890 -4.069 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 26.310 -15.295 -1.476 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 1.898 -29.794 -13.994 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 1.778 -1.083 -0.618 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 11.389 21.077 -12.642 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 -24.774 3.226 1.060 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 3.526 2.805 1.895 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -15.602 -20.583 -3.504 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -8.578 -13.917 -3.808 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 -5.663 4.503 2.164 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 4.645 -6.209 2.385 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 -8.520 -5.967 -15.054 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 -8.212 1.717 0.811 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -14.535 4.111 -1.646 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 -3.967 10.022 0.818 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 1.666 -1.943 1.588 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 -1.496 6.871 -2.103 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 -7.586 -12.293 -4.082 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 7.598 -1.922 -1.831 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 -3.183 -2.124 -10.581 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 22.879 -1.093 15.554 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 2.010 6.572 3.893 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 2.271 6.808 -6.335 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 7.306 5.165 33.131 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -2.233 4.668 -1.322 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 5.609 0.275 3.119 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -5.041 6.392 -3.565 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -6.613 -1.384 -1.974 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 -4.226 -9.198 -5.204 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -0.125 0.539 3.159 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 6.257 4.202 0.376 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 -4.133 -12.625 1.635 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 6.560 8.278 1.972 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 1.838 2.799 -1.819 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -1.843 6.569 2.915 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 19.259 -23.929 3.157 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 -3.385 2.613 -0.884 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -2.323 5.645 -3.810 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 3.336 3.071 1.741 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 0.074 -1.191 4.913 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 9.561 -1.970 0.362 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -13.059 6.639 -22.797 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -5.432 -1.469 1.986 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 3.952 6.438 17.823 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 7.790 11.926 9.523 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 2.940 -1.237 -0.922 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 -9.971 5.250 11.589 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 -15.618 1.978 6.863 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 6.024 -5.173 7.977 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 -11.016 14.612 -18.499 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 20.560 1.316 15.969 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -1.679 0.926 2.670 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 -0.939 3.416 -5.284 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 7.326 -8.048 -3.806 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 1.431 0.912 6.448 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 -4.073 12.317 -2.612 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 1.043 -7.869 0.527 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 -0.535 0.474 -2.035 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 3.449 9.344 -12.022 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -5.611 9.544 9.058 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -5.562 1.572 -2.072 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -16.156 4.969 4.602 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 2.196 -9.568 7.327 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 0.853 3.542 6.498 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 4.721 -6.102 11.903 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 -11.480 -4.540 -3.198 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 -7.365 5.032 -8.509 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -16.843 24.218 5.998 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 11.878 18.330 -24.861 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 2.321 -0.806 -1.022 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 7.267 1.356 -5.920 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -3.385 -0.651 4.918 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 0.393 -0.850 4.849 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 16.190 -29.495 -3.624 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 7.794 -27.384 2.304 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 5.961 1.573 4.497 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -17.121 8.708 2.433 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 5.181 -2.910 -1.592 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 -3.207 -3.139 -0.542 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 -2.101 1.401 -2.754 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 -0.268 8.959 -4.903 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -0.609 -0.780 -5.036 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 1.708 -3.300 11.928 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -2.960 -6.712 -6.997 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 0.923 -0.195 -3.877 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 10.087 -6.424 -25.827 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 -6.498 -0.956 10.904 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 3.284 3.029 -5.130 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -23.866 -2.899 24.347 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 3.053 20.825 1.332 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 -9.536 3.379 1.936 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 -1.435 3.815 16.231 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 -8.057 7.522 -1.331 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 0.614 0.804 2.591 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -4.506 5.172 10.816 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 16.909 -1.810 -4.112 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 -2.104 -7.355 5.746 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -14.120 -3.421 13.135 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 11.488 17.521 16.941 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -2.691 3.229 0.392 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 7.639 7.056 2.588 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 3.746 2.046 10.942 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 -1.730 -0.016 -0.955 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 4.741 7.442 -17.349 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 -9.596 -2.730 0.119 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 -3.587 -2.868 -2.402 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 2.264 -12.795 -0.035 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 -6.969 -23.753 -24.360 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 2.232 1.228 0.693 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 5.771 14.715 -18.728 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -7.229 21.401 10.337 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 -2.422 -3.654 -4.350 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 4.967 7.463 0.662 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 0.873 -3.112 2.594 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 1.982 5.895 -7.457 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 -20.690 14.716 -7.916 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 10.958 2.371 5.825 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 6.531 10.669 -1.333 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 13.271 0.973 8.922 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 17.460 14.941 -0.017 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 -0.275 -2.343 0.323 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 -17.245 -20.762 10.976 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -8.529 -21.877 -19.769 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -5.186 2.686 7.770 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -4.580 3.342 2.459 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 0.399 7.695 3.409 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 0.626 -4.519 3.554 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -1.994 -5.508 8.664 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 3.382 -4.319 -0.196 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -3.108 -1.621 4.091 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -1.533 -10.277 4.791 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -1.630 11.776 -18.328 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 4.072 8.065 5.477 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 8.597 -1.308 13.811 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 -12.174 -5.792 10.678 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 2.226 -2.563 6.118 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 5.292 -11.305 17.086 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 -0.205 -7.501 -0.405 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 -4.888 2.769 -4.642 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 6.271 6.761 -15.818 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 -4.932 0.593 -5.519 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 -0.792 -0.002 3.480 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -0.733 8.663 8.016 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 -10.718 -3.063 4.099 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 0.796 -3.184 -4.556 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 16.380 -10.364 -17.767 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 -12.550 -8.431 -5.445 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 5.622 1.525 -5.116 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 -5.436 12.184 2.247 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 11.666 1.020 -4.665 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 3.770 -0.856 -2.354 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 15.107 -4.888 -10.881 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -4.381 2.713 3.135 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -11.142 -0.228 -3.740 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 10.571 -5.076 5.631 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 9.021 -5.870 8.962 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 -2.203 3.742 4.338 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 10.835 13.149 4.061 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 4.180 -10.484 1.078 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 -4.961 -3.887 1.057 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 4.191 18.420 17.842 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 -7.910 5.619 -23.644 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 -1.928 -4.825 -3.377 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 16.984 -8.485 -4.115 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 4.209 -6.078 -5.035 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 0.729 -5.243 4.775 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 15.131 0.501 -11.691 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -10.405 -6.259 4.268 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 8.266 0.196 -6.399 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 -15.698 -3.184 -14.436 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 -13.910 -7.393 -19.590 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -0.406 -0.926 -2.163 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 -1.688 -8.234 -20.979 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 -8.716 -3.984 -11.863 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -1.369 3.304 -0.791 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 4.531 -3.598 -5.114 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 -0.196 5.644 -0.609 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 -6.016 -8.124 -3.938 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 -4.984 -10.228 -3.025 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -9.049 -3.063 20.294 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 0.783 -2.465 3.255 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 -1.762 -17.897 -18.602 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -9.024 13.866 -20.282 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 3.184 -3.780 1.686 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 2.065 -2.906 -14.260 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 8.596 -9.095 -5.118 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 3.084 -5.233 -0.188 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -1.315 16.753 14.910 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 -1.154 5.100 7.450 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 4.679 -3.298 1.924 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 33.891 0.210 4.881 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 -8.689 -5.160 9.269 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 -3.800 4.678 0.516 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 21.315 -16.953 10.178 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 7.923 1.102 -3.327 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 4.483 5.371 6.737 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -4.818 9.435 -0.556 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -4.687 -4.968 10.625 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 -4.667 -0.543 -3.526 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 -1.260 -8.948 0.587 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 -5.395 -12.356 -10.005 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 -2.509 0.355 -1.508 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -14.096 -1.613 -10.199 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 2.184 10.171 -6.013 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 1.711 -4.729 -1.458 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 21.181 -12.976 -14.387 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -12.972 -6.528 -6.419 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 1.413 -1.588 -3.436 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 14.666 -11.461 4.051 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -13.941 3.019 6.137 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 -1.089 6.383 0.693 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -6.748 0.523 -7.583 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 2.148 13.626 4.755 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -0.887 2.589 -3.296 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 2.305 1.302 -3.869 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 -5.521 9.974 -8.447 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 6.667 0.909 1.155 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 16.975 -6.515 -19.185 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 10.477 -1.406 9.702 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 2.542 0.278 1.450 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -5.568 -10.265 2.593 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 3.898 -0.340 12.632 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 7.242 -1.743 -0.169 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 -4.661 -3.085 3.896 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 6.000 2.208 0.159 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 0.502 4.525 -3.192 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 14.583 8.941 -12.487 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 5.816 -13.086 3.143 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 4.725 1.173 1.834 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 12.015 -10.763 -23.447 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 1.193 6.357 12.547 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 -6.061 0.675 4.416 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -26.190 -11.661 4.382 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 2.808 3.696 17.173 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 1.797 -1.324 1.487 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -17.419 -2.011 -12.617 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 19.844 -6.722 8.065 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -3.123 4.502 -6.227 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 10.148 -6.821 1.148 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -15.156 20.397 -19.644 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 -1.859 -1.767 -1.336 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 -5.513 -3.960 4.898 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 -7.861 -5.928 7.756 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -3.033 1.578 -1.461 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 -12.642 6.863 1.672 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 -5.331 2.334 0.193 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 -2.541 3.357 -3.384 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 1.788 -1.586 16.028 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 -0.166 -13.758 2.100 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 -1.178 -2.721 3.016 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 -27.441 4.108 0.952 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 9.757 11.334 7.957 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 -2.280 -0.341 -0.043 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 9.412 -12.791 1.270 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 -4.908 13.195 14.471 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 2.081 -1.117 2.345 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 0.842 -10.185 -7.548 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 5.542 1.206 6.112 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 -3.530 2.115 6.242 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 7.059 -7.998 -5.330 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 -3.120 -12.636 17.315 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 7.281 1.124 -2.970 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 -1.793 -7.704 30.913 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -2.670 32.370 -11.155 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 0.697 -5.759 -1.652 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 10.316 -14.086 -17.313 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 11.444 -31.655 4.641 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 8.874 -2.713 4.723 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -16.077 -6.438 -6.747 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 -10.129 8.485 -1.972 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 0.114 1.012 -0.525 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 16.574 0.265 -20.637 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 14.338 7.931 20.718 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 4.756 4.573 -1.659 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 -6.804 2.377 -26.393 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 -10.911 -12.910 6.746 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -0.146 4.033 4.745 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -0.405 -5.534 12.152 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 2.861 5.938 -1.710 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 3.866 -5.990 -0.811 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 2.588 -1.876 -1.288 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 10.652 20.703 -4.767 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 2.433 5.503 4.653 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 3.285 8.184 5.235 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -22.443 5.588 2.397 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 -2.184 8.374 4.286 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 -15.237 5.232 5.643 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 10.111 19.694 7.151 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 -2.708 -2.765 0.636 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 3.341 -14.373 6.255 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 -5.038 -1.810 8.045 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -1.254 -0.129 -0.589 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 -28.179 14.594 -2.330 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 2.978 -1.218 -10.695 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 -1.533 -0.633 -0.286 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 8.339 -21.492 -4.032 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 -6.631 -15.876 -10.725 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -5.937 -1.657 1.777 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -14.264 -5.613 23.263 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 11.898 -19.085 11.877 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 0.273 2.542 2.358 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -1.572 2.891 1.716 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 4.656 -1.348 1.855 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -2.696 -0.709 -1.411 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 12.792 10.692 -10.266 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 5.664 -13.997 9.569 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 -3.025 2.550 8.333 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -9.796 -10.968 -8.596 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -0.808 22.680 -2.590 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -2.534 5.815 -3.512 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 18.766 -6.212 -2.907 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 15.948 -7.186 -16.481 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 5.496 2.639 2.533 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 16.421 10.373 -9.666 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 11.863 0.842 12.932 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 4.014 0.466 -0.153 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -8.838 4.308 20.292 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 5.094 -1.286 -2.362 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 6.055 3.224 2.090 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 7.092 -7.957 10.069 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 7.090 -5.432 -4.645 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 0.449 -4.549 4.541 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 1.880 -22.635 -2.270 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -9.162 2.400 -24.770 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 -4.127 0.108 -2.474 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 -2.073 -6.924 37.822 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -8.783 7.095 -20.150 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 -1.510 1.658 -5.865 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 23.227 10.087 2.877 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 0.301 -35.036 6.503 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 1.094 1.149 -0.868 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -3.158 -7.143 -2.114 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 6.649 6.820 3.384 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 7.323 4.163 4.636 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 -4.574 -6.145 10.432 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -7.425 8.770 -5.664 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 0.548 6.422 -2.946 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 7.970 8.099 25.952 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 2.555 37.477 -18.812 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 6.697 4.001 1.597 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -3.642 0.400 -3.706 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -23.314 -4.759 -5.385 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 -0.800 -0.437 -5.646 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -27.492 -2.099 -8.179 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 -12.020 -6.787 31.253 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 5.444 0.235 6.047 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 8.415 -9.189 5.883 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 -10.725 19.962 -2.766 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 -3.237 -7.390 -5.402 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 15.772 -13.938 -8.802 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 8.863 0.257 18.836 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 -3.580 1.861 1.715 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -2.423 -8.066 7.461 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 0.116 -1.061 -7.584 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 6.906 -0.704 0.375 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 7.329 -2.625 1.029 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 6.734 14.642 1.682 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 -5.151 -1.246 1.599 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 -9.837 -4.150 -8.931 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 7.654 9.529 9.618 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -5.537 4.221 2.063 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 -4.613 0.646 4.577 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -15.963 16.475 -0.622 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -0.796 0.487 -10.482 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 -2.775 2.353 -9.025 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 0.677 -1.358 -10.452 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -0.639 -2.114 -2.185 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 -5.490 -11.787 -8.217 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 5.889 -13.237 -2.914 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 2.043 -1.753 -4.846 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -3.481 -7.634 26.892 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 3.158 -0.182 -4.550 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 -3.152 2.523 0.386 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 -13.324 3.565 25.124 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 -9.779 -20.972 -7.942 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 -9.775 1.093 -0.149 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 6.292 20.793 -5.077 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 -1.288 -12.766 -0.693 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 4.596 0.686 -3.927 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 7.703 4.038 16.424 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 33.626 -28.651 13.104 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 -0.781 6.515 -1.674 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -5.482 1.129 -0.705 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 11.533 13.342 -3.214 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -0.391 -3.339 -6.493 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 11.778 31.108 -9.572 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 4.642 -7.951 -22.752 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 -0.728 -4.382 9.657 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 28.622 -41.238 13.357 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 9.868 2.443 -17.882 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 -7.492 -3.860 3.841 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -6.307 -10.930 5.511 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 -11.255 -11.552 8.109 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 3.878 4.798 -1.914 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 -9.596 0.140 1.551 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 16.594 12.431 0.856 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 2.024 4.484 -0.953 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 -2.416 3.869 -0.756 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -14.896 11.486 6.305 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 -0.951 2.134 1.009 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -25.813 -17.760 -11.807 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 -16.959 3.578 9.097 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -1.512 2.117 -3.760 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 6.955 -0.351 14.921 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 -19.250 -0.479 0.524 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 5.901 -2.408 -2.459 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 -9.221 9.938 -12.683 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 -7.641 12.535 8.255 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -1.195 2.668 -0.128 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 -19.288 -32.444 10.885 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 2.957 24.237 0.001 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 1.921 2.951 -0.820 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -0.995 -4.249 -0.561 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 10.166 14.821 6.801 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -0.553 5.011 -3.720 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 -16.547 -18.375 11.161 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 -0.833 13.010 -1.967 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -5.437 0.103 0.614 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 -20.401 -7.552 8.098 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 -8.265 8.718 9.101 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 8.652 -1.685 6.611 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 10.037 0.027 -11.711 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 2.706 4.212 8.598 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 -2.005 -1.751 -0.119 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 -2.395 -0.889 -6.818 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 -7.452 2.845 8.909 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 8.032 1.756 -0.192 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 14.926 18.235 7.242 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 -4.578 -9.264 36.214 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 -3.168 -1.820 1.629 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 0.233 -8.224 -24.210 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 -5.464 -8.496 -4.535 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 0.488 4.569 2.395 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 -29.200 1.522 -10.668 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 8.023 -9.271 1.449 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 1.280 -1.589 0.358 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 -0.970 -3.070 6.692 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 -2.331 -4.689 21.108 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 2.740 7.183 -1.676 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 2.020 14.038 -2.722 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 14.011 11.192 -2.970 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -1.836 -0.274 -3.260 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 -6.583 -2.950 -10.234 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 -4.457 -2.485 -7.054 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -10.591 7.254 -4.098 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 1.084 8.165 0.986 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 0.968 -20.258 -19.901 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 -0.966 -3.980 -1.690 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -5.110 14.774 -1.961 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 -1.405 8.186 2.692 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -1.342 -8.811 3.803 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -2.640 -10.425 3.577 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 -9.179 -16.304 2.054 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 -2.269 2.041 -0.092 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -35.949 -8.717 -8.473 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -13.728 -6.057 -23.659 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -9.178 -3.931 -0.639 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 -17.638 -10.291 -1.282 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -0.542 -0.315 -0.010 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 6.154 -1.215 -2.130 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 7.766 0.166 3.190 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 4.302 0.830 -2.121 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 3.048 4.849 -3.966 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -0.124 -23.777 -12.041 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 6.459 27.404 6.748 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 3.250 -2.619 -0.490 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 -6.509 0.484 4.462 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 16.111 -0.611 -3.581 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 -0.395 -3.965 -2.439 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 -7.473 -9.061 -18.712 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 7.886 3.932 4.466 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -7.434 4.124 -1.132 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -9.307 5.687 7.974 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 -5.042 4.080 -0.091 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 1.141 -4.943 -3.635 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 -3.139 10.239 -14.331 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 -14.099 -6.976 7.277 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -3.703 5.735 2.259 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -13.572 -10.029 5.885 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 3.897 4.669 1.720 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 4.447 2.266 6.387 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 -7.998 1.408 9.787 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -0.374 -10.532 -2.995 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 -3.766 2.735 -4.263 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 11.238 -7.618 -26.095 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 -0.742 10.798 2.682 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 0.352 -5.541 -7.378 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 -5.930 27.927 -12.499 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -5.542 12.936 4.158 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -3.021 -14.069 -1.743 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -3.645 -22.670 -7.453 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -3.189 -9.541 0.990 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 0.934 4.689 -7.676 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 1.408 9.455 -7.356 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -1.714 7.501 -3.575 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 -3.038 2.712 2.909 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 7.502 10.886 -1.182 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -7.420 0.804 -0.628 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 2.217 -3.463 1.258 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 -9.362 17.799 12.508 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -5.063 11.372 9.307 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 -0.104 -2.304 5.793 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 -0.054 -1.491 2.556 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 4.320 4.156 6.557 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 -0.621 -3.452 -4.907 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 8.829 19.554 -17.534 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 11.878 -1.161 20.623 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 -4.059 4.016 -1.043 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 2.747 15.461 3.138 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 2.559 -8.061 -1.056 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 1.296 -4.778 2.476 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 5.194 -4.676 5.166 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 -0.494 -5.445 -0.651 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 3.708 2.769 -5.757 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -21.235 10.988 5.657 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -14.764 -6.168 -20.401 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 4.242 -0.229 -0.534 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -10.537 15.711 -4.688 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 6.150 -5.363 -17.246 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 -0.063 6.779 1.272 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -10.711 3.565 -2.499 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -17.503 -22.958 -3.232 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 4.863 1.102 -0.196 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -2.738 24.093 -19.238 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -1.366 -16.493 2.739 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 0.172 -2.131 6.253 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 -10.370 -21.789 0.122 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 13.294 29.574 3.125 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -2.320 -0.741 4.990 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 -31.379 0.964 -4.642 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 17.726 -13.520 10.955 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 4.673 2.736 4.107 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -2.348 -3.647 -10.299 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -4.715 -12.316 13.240 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 5.261 4.573 0.290 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 7.992 3.881 0.110 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 3.859 3.428 2.306 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 0.881 2.994 0.435 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 15.363 4.016 -11.261 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 -5.967 -17.130 -8.708 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 1.203 -4.060 0.013 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 -15.392 -12.482 10.533 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -7.860 -2.771 -20.505 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 1.712 -4.145 -1.041 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 -5.414 -2.807 8.244 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 3.522 8.376 -5.293 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 2.263 -7.261 7.255 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 6.012 -1.061 -14.609 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -6.646 10.701 17.103 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 -2.614 1.177 -2.222 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 17.596 -7.448 8.918 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 0.806 17.564 7.195 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -1.313 1.636 -5.241 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 18.948 6.420 -13.326 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 7.010 21.893 -5.849 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -3.433 3.498 4.107 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 -1.381 5.072 1.289 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 34.490 -13.943 27.489 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 1.644 1.314 -2.056 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -44.043 -31.009 7.825 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 2.747 5.525 -11.552 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 2.568 -0.849 -0.851 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -2.516 0.473 -16.962 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -0.077 2.639 7.590 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 -0.438 -4.768 1.246 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 6.945 15.498 3.427 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 2.070 15.581 11.625 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -3.680 -4.174 -3.272 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 4.753 20.337 -14.225 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 15.764 18.722 2.462 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 7.067 -3.279 7.491 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 9.804 -0.109 1.448 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 2.804 -6.270 -0.864 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 0.995 -4.364 -0.147 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 -1.086 5.290 3.523 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 4.201 -14.330 -4.343 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -2.663 0.323 -0.639 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 -28.979 -19.582 4.169 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 20.739 0.486 31.895 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -2.578 -0.994 -1.198 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 -11.288 -11.687 15.143 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 7.499 18.809 -30.335 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 2.668 -5.389 5.166 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 5.785 1.593 11.070 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 -11.846 -1.500 14.495 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 -5.847 9.840 -9.513 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 13.105 -0.754 14.955 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 9.639 -1.938 3.742 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -0.969 -4.290 -1.409 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 -12.540 -15.441 7.926 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 0.925 8.145 -12.931 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 4.317 3.351 3.485 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 3.951 -0.670 15.591 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 -7.967 9.932 -11.114 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -0.614 -3.154 -1.905 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -20.380 -4.088 3.430 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 20.183 -1.748 -9.776 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 3.611 -1.313 -1.149 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -4.052 -0.528 6.914 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 12.589 -7.049 -9.687 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 -1.094 2.355 1.199 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 6.862 -20.393 -3.890 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 -24.075 3.945 15.654 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -4.619 1.672 1.086 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 19.595 46.114 22.061 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 -17.851 -22.842 -8.602 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -1.059 -0.553 -1.556 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 11.475 8.724 -8.520 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -7.195 -14.934 -18.873 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -7.137 2.579 3.252 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 -6.160 2.384 3.756 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 0.058 1.247 3.041 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 -5.531 -0.838 -1.446 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -18.020 -6.464 -4.058 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -7.344 -14.277 -16.756 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -3.248 1.347 2.788 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 5.678 -6.589 8.793 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 3.493 -12.366 -16.658 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 -0.169 0.408 -2.528 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 -19.043 -12.366 3.931 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 14.539 1.405 15.601 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 -4.015 -3.674 1.354 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 15.448 -18.937 -10.402 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 8.270 -39.613 -7.024 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 -0.394 2.608 -3.419 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -5.040 -6.721 -28.172 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 21.837 -9.769 25.914 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 -2.492 2.517 -3.943 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -2.409 9.059 2.970 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 -15.455 -6.510 1.097 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 2.344 0.925 -0.779 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 -21.106 -9.071 9.934 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 -0.939 25.100 12.157 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 2.424 2.707 -2.050 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 12.138 -12.723 -4.134 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 20.621 -14.679 -8.276 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 6.476 7.394 2.219 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 0.471 -7.310 10.643 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 4.902 -5.436 7.170 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 2.464 -1.114 -2.209 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 -21.589 -9.344 -4.875 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 3.984 15.461 -5.630 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 1.089 9.076 4.082 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 -8.747 12.925 -6.446 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 0.970 4.652 -3.229 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 2.315 -4.461 -2.499 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 1.788 -10.420 -12.019 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 7.361 -0.173 15.061 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 0.226 -4.800 6.025 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -7.561 -7.086 21.630 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -3.229 -20.437 11.556 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 -1.350 4.646 6.755 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 -13.643 7.178 0.284 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 21.275 -9.995 12.998 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -6.887 -4.267 -5.875 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 1.742 8.507 7.154 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -1.794 15.976 26.894 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 1.665 -7.181 0.260 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 2.776 2.107 -0.865 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 -15.685 -18.456 2.877 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 -3.337 -2.341 0.058 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 7.244 -8.224 10.363 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 -5.163 28.980 6.636 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 2.349 -7.326 5.560 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -2.418 1.352 19.511 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -13.760 -12.164 4.035 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -3.362 0.487 5.007 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -14.126 -4.210 5.737 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 13.123 -0.812 15.471 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -1.646 2.532 -0.702 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 -3.374 -10.253 -0.240 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -1.880 -7.430 -0.139 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 2.128 1.963 -4.962 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 8.377 -18.327 -1.595 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 -20.400 2.379 -0.013 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 3.773 -6.931 -4.635 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 9.870 -29.027 1.594 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 1.703 1.346 2.407 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -2.396 -1.442 -3.366 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 5.854 -25.023 -12.831 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 -3.881 -17.412 -16.212 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -2.751 1.451 1.240 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 5.974 10.601 4.622 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 9.350 -4.962 3.839 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -0.115 -1.371 4.127 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 5.382 9.731 15.858 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 -15.392 7.086 10.829 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -4.030 3.536 -6.456 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -2.341 4.822 -6.971 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 0.299 5.950 -7.654 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -0.648 4.601 7.792 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 2.519 9.229 1.295 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -22.748 15.155 32.632 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 -0.654 -3.960 -0.745 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 -1.768 6.881 -2.537 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 7.999 -5.169 5.805 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 3.308 -1.213 -6.247 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 6.204 1.888 -2.546 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 -19.179 0.475 -25.015 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 4.299 -0.608 4.145 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 -8.880 -5.191 0.567 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 7.314 -8.517 6.042 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 6.751 1.093 2.674 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 5.975 -15.549 -0.147 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 20.094 4.042 -5.526 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 4.700 -4.308 2.569 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 4.583 -11.084 -4.692 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 6.323 0.867 4.407 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 -2.640 0.742 -3.076 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 -0.790 -3.392 1.299 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 22.194 4.263 -1.469 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 3.000 0.416 -7.416 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -3.440 8.915 -1.843 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 3.524 -14.750 -0.227 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 1.065 -2.720 -1.439 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 14.519 -2.202 2.569 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 5.122 0.141 -0.091 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -0.499 -2.600 -3.058 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 1.276 6.775 -4.282 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -41.402 12.275 25.183 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 0.170 -3.113 3.656 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -9.625 -1.762 4.398 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 4.012 5.118 -0.646 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -7.198 4.043 4.490 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 6.962 14.059 16.112 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 8.386 14.173 -3.133 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -3.831 -5.985 3.453 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -9.566 25.865 18.520 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -1.720 11.948 9.750 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 8.533 -4.911 -4.332 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 6.547 10.090 -15.941 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 9.951 3.765 -8.923 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 2.666 0.766 -5.328 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 -31.022 -12.827 9.184 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 12.714 8.045 -8.449 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 1.272 -3.876 3.679 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 -14.442 18.872 -7.973 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 2.413 1.757 21.234 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 7.606 4.688 -0.962 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 5.387 -1.290 13.376 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 7.838 -1.973 12.809 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -3.643 -3.092 -3.397 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 7.451 -16.879 -6.073 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 1.511 -0.334 -11.730 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -2.773 -0.633 -0.666 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -4.140 -6.519 -2.761 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 4.149 -5.740 9.213 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 10.693 -7.036 -3.247 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 8.514 -15.226 -1.175 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 -6.515 1.335 -6.144 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -4.734 1.724 0.426 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 19.550 16.102 -12.925 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -10.991 16.975 25.741 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -7.002 -0.634 -6.805 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 -9.722 -14.168 -1.625 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 -8.818 39.537 -22.738 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 5.997 3.160 0.982 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -3.094 17.377 -13.047 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 13.078 1.668 -10.446 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 6.123 3.423 -2.709 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 7.711 9.459 1.032 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 0.728 -7.895 -11.380 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 -1.324 0.524 -2.966 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -21.516 7.354 -6.288 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 0.563 0.995 17.707 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 -4.965 -0.397 -6.860 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 8.484 -10.151 -24.615 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 -1.552 -6.007 -18.930 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 7.040 -0.148 0.788 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 6.920 5.666 3.236 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 6.011 1.728 1.809 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 0.592 2.153 -6.177 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 -1.353 3.267 -0.134 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 -0.154 -2.495 -8.125 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 -7.975 -4.211 -2.519 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 -3.258 9.358 2.825 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 3.464 21.578 -8.475 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 -1.767 0.810 0.006 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -3.867 4.093 10.684 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 3.526 -17.662 -6.488 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 1.917 -0.675 -1.760 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 18.317 1.401 0.293 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 5.305 6.777 -7.029 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -0.287 1.435 -3.860 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -6.416 -19.242 -1.637 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 0.604 3.778 -5.255 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 -4.858 12.403 -4.500 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -0.769 -9.035 -26.863 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 10.316 -9.806 -3.512 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -4.132 -2.477 1.137 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 -6.996 0.312 5.346 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 -3.778 -3.014 -0.496 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 5.108 -1.578 2.284 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 14.966 0.354 -0.716 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 0.993 9.394 7.707 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 7.394 3.530 -3.511 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -11.954 16.471 -11.491 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 -2.151 -10.480 -6.665 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 2.724 -5.305 5.064 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 17.907 6.127 3.607 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 0.893 -2.478 4.241 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 -2.806 4.187 -0.392 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -26.557 32.327 2.630 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 -17.729 -17.684 -25.508 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 3.112 4.208 -4.781 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -22.148 -6.419 -24.048 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 20.608 -28.658 -2.786 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 -1.987 -1.471 2.642 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 13.969 -1.987 -2.151 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 -0.769 4.041 16.850 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 -7.290 -5.134 0.693 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -3.789 -4.855 -14.369 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 -14.575 6.189 3.699 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -2.445 -2.544 8.159 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 -6.754 -28.345 8.774 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 -20.707 8.314 -0.754 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 6.306 2.118 7.829 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 -1.990 4.958 2.417 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 12.785 -2.740 9.737 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 -5.728 3.242 4.677 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -2.773 -3.091 13.614 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 2.976 7.762 -1.936 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -2.182 2.874 -3.317 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 13.708 16.721 9.072 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 12.570 -8.863 -16.986 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -1.024 -3.440 -1.659 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -3.274 -7.970 8.786 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 15.427 -6.868 -3.569 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 2.165 -5.154 2.699 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -0.421 13.578 5.623 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 -6.404 -10.439 -5.426 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 -6.230 -0.389 2.468 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 -24.014 14.299 -8.485 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 -2.982 -0.931 16.671 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 2.033 0.623 1.541 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 1.726 13.752 -7.288 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 10.869 9.921 1.553 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 -0.364 0.519 0.587 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -2.665 -0.390 -2.452 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 -9.970 0.937 21.975 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 1.344 -3.576 -2.761 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -8.204 7.440 -17.621 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 -4.780 -10.327 4.134 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 1.014 -1.450 3.965 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 -12.461 -3.252 -0.576 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -30.778 11.342 -3.224 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 -2.429 0.989 -3.683 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 5.446 4.874 -20.394 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 -2.622 -1.933 -8.305 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 1.723 1.063 6.532 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 18.650 0.133 -12.968 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -6.206 26.323 1.170 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 -2.292 -2.508 -2.583 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 18.251 -6.552 -3.757 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 -10.584 -16.020 11.684 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -0.933 -3.662 2.061 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 2.792 -2.054 4.234 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -10.181 1.010 -4.559 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 10.651 1.540 -0.801 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 -1.141 -0.276 -0.734 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 -17.948 -7.340 9.365 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 -4.477 -5.502 -1.456 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 -3.721 -4.964 -3.240 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 -1.599 -3.314 -1.074 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 6.337 1.144 3.535 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 16.954 2.026 -10.931 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 2.485 27.830 -23.382 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 5.360 3.354 -3.933 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -6.410 -3.100 -26.267 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 10.377 32.142 -4.755 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 -1.256 6.517 -6.397 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 12.184 -4.022 27.183 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 -8.765 -26.084 -6.124 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 -1.269 2.859 2.146 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 7.359 -1.921 -6.183 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 -5.906 8.570 -1.715 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 5.915 -3.079 -1.327 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 2.217 -6.982 -2.753 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 7.155 -0.744 -0.866 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 2.102 -5.793 -1.191 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 -5.190 11.336 -0.341 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 -3.924 5.577 6.389 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 -4.902 -0.679 -6.337 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 -12.035 -15.820 -12.514 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 -8.633 -4.717 -8.069 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -2.045 2.449 -3.086 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 20.104 12.898 -14.966 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -17.817 14.601 -1.186 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 -1.036 2.526 1.115 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 -1.395 -9.379 0.591 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -2.925 0.476 -8.717 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -1.675 -0.107 -4.525 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 3.305 2.059 6.894 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -6.505 11.544 -3.607 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 2.448 6.148 -1.230 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 5.354 -5.032 -3.631 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 2.711 12.751 -14.089 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -1.641 0.563 0.135 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 1.833 -1.918 14.650 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 -17.377 14.396 -8.890 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 -1.973 1.960 -3.744 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 6.377 -0.719 -4.466 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 -9.388 -15.085 5.366 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 1.998 4.925 -2.154 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 4.618 6.474 5.748 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 0.244 3.363 -8.173 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 -2.678 -0.257 6.170 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 12.640 0.696 -7.669 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 6.815 -22.796 -25.106 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 1.643 0.414 -5.088 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -4.351 2.436 -8.210 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 5.834 -2.852 -12.678 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 4.759 -9.770 0.405 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 18.113 -7.873 -0.945 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 3.951 -10.451 -6.088 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 -2.570 -1.729 0.959 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -22.242 -9.260 -16.230 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 5.648 -21.148 -6.831 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 5.321 4.151 -2.048 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -7.684 -20.255 -7.545 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 28.344 -1.854 9.352 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -2.179 8.278 -3.003 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 0.385 16.136 1.047 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 11.462 9.231 -16.292 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 -8.483 2.038 1.006 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 2.269 22.690 14.836 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 -13.884 -14.134 -9.488 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -2.921 6.037 0.813 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 9.153 -1.577 -10.342 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -23.483 -2.693 -10.731 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 -2.010 -2.929 1.548 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 3.580 3.439 4.976 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 11.083 -6.244 5.796 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 2.995 -3.003 3.961 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 6.619 9.707 2.810 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 13.974 18.439 -1.219 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 5.318 6.623 0.801 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 7.827 3.645 9.265 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -0.992 8.261 9.479 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 4.908 2.113 -2.483 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 1.026 1.108 6.725 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 -12.593 -22.317 -0.799 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 7.452 -0.539 3.647 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -9.827 -17.132 5.024 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 6.716 4.247 7.761 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 2.579 -2.982 0.594 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -7.640 8.805 -0.065 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -1.261 -0.179 -10.403 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 3.119 0.106 6.248 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 9.853 4.402 14.491 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 -23.257 12.465 2.012 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 -1.691 1.777 1.759 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -3.003 9.530 8.857 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -4.689 -4.251 8.310 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 1.349 1.504 -4.737 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -1.455 2.526 -9.169 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 6.604 2.097 6.851 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 0.086 -3.908 -2.364 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 -1.407 6.869 4.200 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 -3.619 20.838 12.615 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 -0.694 1.391 -2.464 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 0.575 0.345 -2.078 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 9.634 1.922 -10.534 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 -0.732 -5.864 -3.705 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 16.583 4.148 1.276 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 -9.109 -20.406 11.985 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 -0.217 -2.598 1.370 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 7.572 7.716 11.463 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 -3.349 -8.851 7.845 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 0.056 2.732 7.765 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 2.252 -6.452 -10.339 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 14.898 18.041 -0.647 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 2.845 -1.198 -2.211 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 0.947 1.154 -11.113 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -10.305 -5.826 -1.271 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 -3.534 0.543 -3.072 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 -4.556 2.521 10.164 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 -15.993 -0.083 15.105 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -0.495 -3.021 -3.628 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 0.102 3.080 -9.477 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 3.368 2.250 -8.223 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -1.462 -1.162 0.480 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 2.923 -0.471 22.752 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 5.330 2.787 31.409 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 -2.098 -0.559 8.865 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 20.383 -10.921 -1.017 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 -1.816 -5.171 -24.852 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 1.167 -4.591 3.144 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -1.923 -6.427 3.282 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -0.077 -5.272 8.292 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -4.710 2.366 3.099 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 4.336 9.970 3.891 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 7.995 12.607 4.299 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 -1.193 -0.112 -1.808 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -2.662 -1.185 -8.942 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 0.775 -2.969 3.078 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 1.670 5.858 3.164 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 0.666 -7.063 -15.966 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 -10.110 -11.951 18.059 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 7.387 -3.624 3.971 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -6.696 10.334 -4.880 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 -12.553 -11.086 2.240 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 -1.664 -3.002 -2.897 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 8.197 2.353 10.888 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 4.757 3.436 5.550 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 -7.594 -0.116 3.215 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 -4.244 -19.239 23.179 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -8.143 14.768 -5.364 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -6.330 0.257 -2.972 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 -14.165 3.522 3.197 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 -2.414 -6.490 3.904 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 5.380 1.623 1.130 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 6.168 2.314 3.519 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 16.975 6.400 -16.019 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 -3.250 -3.084 2.060 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 11.613 3.086 -0.665 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 -0.578 -12.003 15.098 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 -8.364 4.738 2.258 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 4.521 25.175 15.984 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 -14.733 21.756 -13.974 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -0.920 -7.035 -0.887 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 7.033 -10.112 8.044 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -11.324 -12.753 2.477 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -1.240 5.722 11.679 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -4.093 2.313 17.515 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 3.243 14.232 9.812 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 1.797 -3.664 3.432 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 7.479 -0.976 1.948 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 20.182 25.538 7.397 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 -1.048 0.046 7.860 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 1.476 9.898 15.336 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -7.904 -6.062 18.985 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -0.714 7.040 1.227 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 -18.406 20.518 13.140 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -2.571 -17.516 32.455 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -4.571 -3.298 9.773 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 3.722 3.903 8.367 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 2.040 -1.796 -24.571 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -1.139 5.399 -6.840 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 -3.535 -5.460 3.616 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -2.686 13.421 -5.392 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -3.964 -3.456 -3.606 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 -27.063 -6.800 -6.763 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 13.429 12.087 -0.783 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 -1.720 -4.539 -2.118 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 -5.395 -1.395 -3.464 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 18.308 -8.809 -14.974 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 0.309 9.249 -4.317 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -12.607 9.407 10.545 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -2.576 3.144 4.420 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 5.434 -0.721 2.255 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 6.001 6.333 7.731 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 5.154 6.232 8.257 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -5.938 5.922 -0.909 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 -9.642 -0.669 7.060 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 3.535 25.625 -10.498 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 1.597 -0.674 -3.796 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 -3.117 -0.344 0.486 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 0.293 11.227 -11.586 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 2.700 -2.440 -5.279 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -11.102 -2.136 -21.677 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 9.021 17.048 -9.226 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 -7.726 -6.045 -5.627 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 8.946 -22.011 0.854 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 -7.477 -18.466 -11.654 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 2.533 -5.658 4.620 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 18.282 -27.041 -1.885 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -16.472 -16.447 -6.770 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 -1.089 -2.853 0.743 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 3.991 0.410 1.937 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 -6.811 -0.194 -1.453 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 0.690 -4.214 -1.173 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -5.823 4.365 -13.542 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 17.061 -8.549 -0.135 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 1.644 -2.719 -5.324 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 -1.320 -0.608 -9.601 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 17.414 -28.705 -15.982 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 2.398 1.898 -8.645 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 0.724 1.724 -9.596 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 -18.636 -0.556 3.466 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -0.127 -4.054 4.316 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 13.252 15.165 28.067 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -1.018 -10.702 -2.839 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -4.722 -3.782 0.361 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 3.974 1.494 0.013 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 3.729 -19.381 -0.260 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -9.957 2.703 -8.526 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 2.186 0.685 5.950 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -5.481 5.873 -8.569 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 5.254 1.083 7.011 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 17.910 -19.795 0.749 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 16.805 17.630 -13.543 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 -1.341 7.608 0.040 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 -4.321 12.048 9.571 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 5.839 15.563 -4.938 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 0.649 5.739 -3.803 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 -7.188 0.874 -18.836 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -15.099 4.036 -2.821 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 0.972 0.891 -6.909 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 -4.881 -6.894 -17.586 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 2.171 1.362 -12.473 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 3.733 -5.763 -4.180 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 -0.946 -6.337 1.248 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 3.528 -4.957 -6.302 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 0.826 -5.008 1.201 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 -7.271 -1.673 15.808 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 14.713 -9.460 -2.622 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -6.084 -0.858 -4.638 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 -12.868 -3.870 -6.548 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -12.340 -8.134 12.970 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 -2.091 -2.463 1.523 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 -0.460 -5.422 7.968 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -7.411 -5.122 -6.479 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 -0.565 -0.857 -6.451 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -9.696 -10.253 -18.405 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 0.314 4.678 1.463 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 -4.654 -0.805 4.027 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 3.344 -17.206 3.200 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -7.458 -1.811 -3.422 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 0.238 3.167 -10.943 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 0.322 9.539 0.256 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 1.320 -2.293 -18.187 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 5.082 5.602 -3.588 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 3.027 7.010 -2.101 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 -12.008 18.261 6.567 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 -0.300 4.351 -1.647 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -5.820 -8.824 -6.651 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 11.583 0.984 5.216 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 2.567 4.595 -3.560 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 19.450 6.260 -20.979 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -11.435 11.509 -16.217 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 3.486 6.281 -4.863 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -23.113 -25.407 5.238 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 14.669 22.848 2.568 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 1.232 -1.599 1.064 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 2.629 -3.829 -5.125 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -1.889 7.972 41.568 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 11.604 -1.005 0.240 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 4.048 -17.999 -0.602 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 12.390 15.335 -12.722 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 -4.905 4.069 0.616 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -5.061 -2.720 -0.187 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 6.605 -4.971 7.491 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 1.288 1.856 2.860 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 2.025 8.698 6.145 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -21.167 -11.831 4.179 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 -1.556 4.666 -1.436 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 -1.119 15.185 -17.997 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 5.931 -0.274 12.973 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -5.559 4.058 -1.792 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 -0.799 0.317 4.923 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 8.301 8.626 -14.824 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 0.364 2.766 -3.629 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 10.546 23.950 16.367 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 7.418 6.764 -18.334 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 4.818 1.696 0.848 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -12.069 -9.282 -16.029 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 2.599 0.206 -0.640 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 4.778 0.787 -2.456 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 4.454 0.938 -4.430 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 7.950 1.615 1.966 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -0.412 -7.475 0.352 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 -12.653 1.491 -0.931 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 -3.289 -0.815 -8.006 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 -0.495 -0.545 2.439 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 -5.131 3.795 -13.750 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 0.730 0.321 4.746 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -5.692 -3.969 -6.947 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -6.819 2.348 -6.181 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -2.108 -7.533 -22.841 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 0.385 -4.984 0.626 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 1.193 4.120 5.866 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 6.469 -5.253 -9.047 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 -0.366 6.860 -1.740 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -4.260 -0.998 -22.186 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 1.578 -14.303 -0.409 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 -1.797 -2.743 3.726 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 0.415 0.652 -7.790 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 20.998 -5.978 15.241 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 1.072 -4.442 -1.800 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 3.370 -9.352 1.472 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 4.205 -5.599 3.689 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 2.319 -4.066 -4.863 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 8.030 4.058 -7.359 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 5.992 -9.727 3.504 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 0.528 -1.969 1.693 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 10.636 -21.725 1.541 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 -36.959 2.603 -7.036 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 2.616 1.055 -1.246 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -4.695 19.218 -15.235 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 -4.463 18.973 -14.786 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 4.827 5.409 -1.266 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 5.279 2.200 2.840 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 6.298 5.102 -1.549 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 -4.173 7.870 -3.293 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 35.886 12.849 1.064 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 18.361 -7.271 6.756 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 2.415 0.940 6.834 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 4.688 -0.199 5.588 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 4.814 0.461 11.660 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 1.853 -6.312 -6.027 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 18.170 -1.939 7.757 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -4.364 7.929 -3.856 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 8.531 -3.929 -5.214 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 12.398 2.307 -7.591 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 0.264 0.896 -12.701 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 0.135 -4.926 5.840 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 -15.973 3.187 18.049 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 -13.952 -2.587 20.656 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -0.590 1.146 0.099 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 2.695 -4.770 9.026 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 6.421 0.899 11.627 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -3.613 -0.100 4.338 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -23.399 -14.489 0.991 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 -8.688 3.520 -0.897 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 -0.021 0.675 1.912 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -24.018 5.978 8.325 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 5.679 13.016 -15.293 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 4.908 3.154 1.932 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 0.603 19.202 13.225 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 4.586 5.026 -19.866 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 1.335 -1.755 6.159 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 17.484 -3.562 5.883 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -6.760 -3.882 -3.279 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -0.092 1.630 -3.298 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 3.597 1.496 4.837 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -21.326 6.381 -8.946 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -2.787 -0.738 3.056 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -26.255 -3.991 15.776 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -1.705 0.475 2.632 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 -5.185 -2.685 5.011 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 -6.981 -2.499 9.474 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 0.842 11.523 10.726 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -4.524 1.383 1.765 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 -1.850 4.974 -3.662 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -11.406 10.531 -6.493 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 -2.537 3.434 0.459 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -1.188 4.563 -2.813 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 -6.554 5.650 2.634 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 -2.895 -3.452 -1.820 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 20.638 -14.991 -5.028 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 -2.735 7.791 20.153 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 -1.914 -3.642 -1.178 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 0.792 6.409 -9.802 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -0.950 32.437 -28.704 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -2.897 -3.832 -0.045 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -1.084 8.291 5.933 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 11.344 18.345 5.601 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -0.037 -2.828 5.212 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 -22.489 11.270 -18.072 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 27.634 -7.876 -6.705 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 0.456 1.354 1.602 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 9.315 -1.665 18.670 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 2.185 3.829 17.525 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -1.179 -4.378 8.409 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 5.533 -13.642 7.242 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -3.450 -0.509 14.851 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 2.459 -3.642 -1.794 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -10.937 -3.943 1.844 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 5.106 -2.662 11.290 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 2.361 -5.071 -2.211 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 11.672 -22.802 -29.023 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 0.356 19.155 -1.391 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 5.856 -2.179 -6.101 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -15.586 -10.565 -5.031 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 5.605 -10.292 -3.421 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 -1.343 1.215 -2.407 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 10.819 0.111 6.392 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -7.102 -15.606 1.083 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 -2.620 -2.310 -0.868 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 -24.755 25.615 -4.092 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 2.094 -17.353 9.717 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 1.063 -0.744 -1.920 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 -8.773 -12.846 14.601 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 14.248 6.626 -15.378 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 0.750 -5.002 -4.349 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 4.271 -2.815 12.730 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 -20.612 -25.656 -20.067 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 -2.793 3.841 4.255 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 -6.535 -11.190 3.012 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 -35.697 7.797 4.318 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 -4.698 6.573 -4.365 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 20.434 40.049 9.129 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -8.249 5.331 0.405 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 -0.891 2.263 -1.171 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 -11.922 -10.249 -10.003 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 3.180 12.316 6.550 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 -1.215 -1.297 -2.557 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -5.612 19.028 22.219 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -11.536 -17.717 -13.568 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 1.185 -1.280 3.309 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -3.865 -4.079 -5.081 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 7.144 9.433 4.171 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 2.837 2.254 -0.050 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 -0.361 -11.674 -22.857 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 -3.501 6.076 15.858 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -1.360 3.922 -0.827 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 -12.647 3.867 2.761 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -5.126 -13.159 3.481 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 -2.952 -2.839 1.246 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -19.861 1.452 -4.601 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 4.626 13.666 21.378 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 1.096 2.466 3.417 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 7.803 7.664 -6.132 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 6.827 4.436 11.839 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -2.103 9.739 1.853 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 10.266 -0.590 13.370 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -9.395 12.023 -27.682 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 5.030 -2.652 -4.453 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 -9.077 6.504 -3.392 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -18.974 12.719 23.711 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -4.169 2.713 -3.365 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -23.017 7.335 -2.954 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -0.351 4.176 -7.179 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -2.308 -2.424 -3.553 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 15.093 26.295 -15.716 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 11.855 -39.392 -20.192 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -3.127 1.390 -2.345 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 -4.903 6.930 -6.899 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 3.948 6.686 -2.262 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 4.031 -0.434 10.379 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 8.827 19.763 14.277 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 -26.714 9.634 15.302 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -1.458 9.995 -0.152 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 13.171 -4.094 6.108 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 22.004 -7.504 0.505 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -2.164 -4.572 5.493 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 28.813 -3.953 13.748 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 17.289 21.479 -6.894 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -4.088 5.777 -0.825 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -19.615 9.819 -2.243 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 -1.262 23.686 13.123 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -3.071 -0.280 -3.440 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 2.122 -2.387 -11.859 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -11.379 -4.684 -4.407 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 -2.688 6.093 -5.873 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -1.064 -8.518 9.138 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -10.818 12.444 -4.842 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 0.577 1.895 5.549 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 0.594 13.870 -16.028 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 -6.854 -0.952 21.848 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 3.677 -2.616 1.572 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 15.680 -13.160 -3.991 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -2.947 2.398 22.082 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 1.570 -7.240 -3.840 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 -4.760 -8.492 -11.006 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 1.642 -7.049 -2.184 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 1.119 -5.954 1.811 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 -1.722 -8.087 -2.653 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -5.158 4.103 15.166 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 -2.926 0.536 -3.352 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 22.967 -8.034 -5.126 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -9.703 -2.325 -6.702 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 -1.394 -0.855 1.551 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 10.553 11.037 6.392 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 11.276 7.489 -4.402 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -3.364 -0.137 -8.176 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 -6.380 -4.620 -4.050 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -9.187 7.700 -12.109 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 1.953 -1.038 0.192 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 17.734 -9.022 2.077 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 -2.371 2.959 7.919 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -2.652 -6.951 2.814 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -16.382 -6.726 0.650 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 -5.830 -5.408 -8.240 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 4.622 0.362 3.092 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 14.398 -14.290 7.547 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 -8.018 7.483 -29.205 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 -0.503 1.584 2.980 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 -3.334 2.799 2.350 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 7.111 -7.890 0.114 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -3.207 3.338 -0.719 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 10.212 21.902 7.895 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 -2.056 5.141 1.687 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 3.595 3.063 -6.511 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 2.966 9.788 6.688 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 7.519 -9.749 -7.515 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 -4.263 -2.543 2.396 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -16.674 -3.578 5.435 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 0.689 3.530 -4.301 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 0.908 3.789 -4.932 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 4.153 3.149 -18.240 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -7.088 11.446 9.558 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 3.386 0.395 5.546 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 -13.255 13.216 -2.208 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 -20.098 7.549 11.336 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 4.263 5.315 4.052 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 -6.145 -0.703 20.027 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 19.691 -4.315 7.333 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -1.637 4.140 -4.485 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -18.994 10.207 -14.885 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 -11.874 7.543 -10.599 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -6.514 -1.296 -4.388 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 9.275 -2.177 -7.919 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -2.186 0.289 -15.236 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 2.256 -5.343 -1.939 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -23.416 -8.490 -0.987 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 -13.029 3.081 12.833 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 5.250 -5.532 0.858 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 16.075 4.872 12.068 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -21.086 -10.882 -26.026 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 -3.110 -0.978 -3.283 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -13.293 14.150 10.121 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 7.159 0.627 4.168 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 9.875 -4.950 7.060 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 10.633 -3.218 1.571 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 8.837 -4.610 6.222 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 0.373 1.764 -5.343 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 -9.230 -10.403 0.058 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -2.658 11.848 8.148 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 -5.862 -3.043 -2.732 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 0.101 7.429 1.326 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -8.402 -0.406 -25.365 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -2.610 -6.359 -1.301 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 3.441 2.804 0.240 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 7.732 -27.400 -11.126 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 1.121 -2.467 5.896 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 4.525 5.532 11.860 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 14.376 25.722 14.422 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 2.321 -4.335 -4.132 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 5.775 -28.389 -3.445 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 0.798 -18.985 -6.482 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -2.867 0.891 2.208 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 10.754 18.133 10.309 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -5.082 -2.290 2.469 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 2.791 -8.340 2.156 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 2.137 -14.951 5.534 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -5.532 -7.846 -2.990 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -4.074 -0.126 -2.603 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -14.337 5.769 -0.622 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -8.253 0.792 -14.741 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 -2.115 5.146 4.244 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 24.933 8.633 -5.281 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 -3.565 -14.787 -9.316 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 -2.581 4.856 2.894 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 5.930 -5.966 8.578 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -1.044 -5.140 7.531 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 0.531 -6.418 -4.936 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 30.306 -21.763 11.228 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 7.583 30.460 -11.724 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 1.082 3.232 -3.063 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -1.670 -6.667 25.812 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 -6.170 6.513 -4.981 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -0.225 -1.149 -0.048 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 3.322 -1.650 0.994 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -5.353 -3.144 -0.671 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 -5.253 2.451 1.959 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 5.242 -11.500 11.148 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -14.769 0.421 10.837 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 -3.582 0.446 -0.663 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 0.154 -5.217 8.069 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 7.224 -12.353 17.717 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -0.154 0.182 1.375 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 22.735 -8.334 -12.572 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -13.125 -2.042 11.574 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 2.166 1.814 -6.322 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 8.194 0.716 4.650 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -0.176 13.312 -4.524 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 -6.152 -0.236 -0.484 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -0.989 -24.501 12.488 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 -7.205 4.922 -7.173 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 3.242 2.976 -0.912 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 9.642 -0.999 -3.145 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 4.704 0.364 -4.275 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 1.483 -6.552 -0.135 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 0.733 -15.782 -0.042 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -11.762 -9.483 -5.930 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 0.069 2.735 8.322 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 -1.714 1.437 7.963 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 12.743 6.725 7.430 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 4.892 -4.209 -3.809 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 7.165 -11.715 9.523 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 2.139 -12.477 1.731 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 -6.790 -5.727 1.556 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 -16.307 -2.203 1.187 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 6.885 -0.622 -19.314 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 2.500 -3.083 5.935 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -1.674 -13.917 12.173 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 -4.441 2.027 2.670 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 2.163 -4.210 -6.769 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 23.394 23.569 -11.350 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 6.338 1.410 -1.049 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 3.301 2.199 0.252 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -5.443 3.459 -2.080 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 2.584 6.331 1.372 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 1.686 -0.893 4.559 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 19.840 5.189 -7.959 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -6.421 10.835 16.681 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 -8.315 1.725 6.150 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 -6.079 46.000 2.852 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 -12.737 13.480 -0.616 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 -4.522 -6.511 -7.198 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -25.356 3.196 -9.455 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 -3.650 21.989 0.520 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 1.590 3.636 0.166 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -7.475 -0.268 2.115 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 22.571 13.423 30.786 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 3.711 -0.592 -1.157 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 -0.730 9.467 -3.400 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 5.319 6.871 13.669 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 0.671 -1.883 -4.767 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 -8.250 5.303 -0.921 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 1.204 8.895 -4.345 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -3.941 10.348 0.397 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -5.732 22.654 -14.080 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 -5.968 34.943 -26.322 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 -6.492 -5.154 -5.177 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 -20.577 6.547 12.297 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 3.626 -6.145 -30.727 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 0.439 2.865 -0.963 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 16.228 -19.015 3.841 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 2.628 -1.833 6.162 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 5.211 0.569 -0.697 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 7.472 -1.766 -8.682 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 9.481 7.403 -1.374 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 0.497 -4.589 1.535 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 -11.827 -13.116 22.913 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 22.135 0.692 14.254 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 -0.581 -1.144 -0.292 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 7.614 -7.309 23.078 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 -12.661 -5.357 1.759 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 8.249 3.548 -4.558 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 -19.384 17.352 -10.106 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 34.717 5.237 -17.575 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 4.274 -3.424 1.717 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 5.090 4.837 -7.052 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 13.286 -10.939 0.320 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 -0.184 -1.379 -1.907 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -17.807 -16.848 10.340 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 5.827 -3.805 -8.247 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 -1.444 -2.417 -0.347 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 -9.190 -4.798 -7.798 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 -8.501 -11.763 11.310 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 5.274 4.676 -0.126 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 -13.278 -14.069 -2.852 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 5.509 4.309 3.194 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -1.617 -3.152 5.348 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -18.152 9.906 -17.011 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 -1.274 3.992 -0.963 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 -1.235 -0.552 -1.966 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -8.047 -8.699 17.388 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 26.042 3.178 -4.436 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 -1.522 2.324 -1.171 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 5.438 -9.000 26.035 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 6.312 -3.149 13.907 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -0.794 2.073 -3.975 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 14.294 -1.227 0.820 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 0.573 1.673 -2.988 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 2.610 1.348 -5.698 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 -9.976 4.473 -11.063 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 16.162 -13.610 3.867 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 4.590 1.884 -8.379 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 2.094 -7.062 -26.942 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 -7.804 -4.101 -26.606 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 -2.851 -1.756 5.210 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 19.865 4.993 5.468 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 -1.770 14.721 1.592 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 -4.554 0.131 -0.215 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 6.520 3.660 -7.419 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 27.994 -20.583 -6.641 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 3.952 -0.500 -7.437 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 15.305 -12.356 -5.352 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 0.292 9.254 -8.983 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 1.473 2.316 8.572 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 -2.199 7.347 2.905 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -2.307 21.540 3.766 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 0.858 1.612 1.462 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -0.072 -0.271 -1.309 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 0.240 -6.805 -11.030 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 4.111 2.476 -4.615 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -1.836 -2.478 3.286 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -1.964 23.248 22.552 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 -3.732 -2.593 3.475 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 1.371 9.131 33.866 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -14.616 -19.296 1.229 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 3.282 -0.985 -3.394 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -6.761 1.222 -11.364 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -15.987 3.522 -21.380 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 -1.727 -2.851 -0.301 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 8.282 21.475 -4.020 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -10.635 15.457 -1.297 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 3.240 1.452 -2.157 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 4.426 22.828 5.051 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 -13.437 -5.192 -10.515 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -3.895 2.004 3.764 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 25.765 39.781 -1.067 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -5.432 4.346 0.526 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -2.186 3.720 0.508 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 2.657 -15.483 6.951 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -5.643 16.083 -3.254 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 1.506 0.163 -0.315 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 10.657 -4.453 8.233 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 -9.383 11.034 9.673 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 4.904 0.901 0.310 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 -2.924 4.699 -10.275 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -4.835 6.465 2.187 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 -1.270 -2.709 3.551 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 -7.574 -1.511 5.319 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 4.338 -2.688 -1.238 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 -3.202 0.869 6.328 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -3.485 14.803 5.684 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 -4.781 1.500 -0.894 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -4.789 3.406 -3.894 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -0.768 4.727 -7.718 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -1.845 0.609 -3.841 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 7.197 5.525 0.091 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -5.430 9.330 -2.863 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -5.261 12.418 1.156 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -10.487 2.810 -4.375 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 -4.635 17.193 26.205 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 -26.990 -3.781 -17.570 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 0.356 -9.924 0.028 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 1.884 -5.161 0.069 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 -2.500 -5.412 -4.738 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -0.329 -2.244 -4.224 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 0.601 12.858 -12.673 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 -3.259 0.830 -2.689 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 -0.546 -6.782 5.522 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -5.696 -8.488 -5.436 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 -5.067 -9.806 8.424 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 -2.139 -0.537 3.880 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -4.751 -2.639 6.508 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 3.652 5.578 -0.801 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -2.660 -2.574 -2.363 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -0.408 -10.084 -10.106 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 -4.338 3.895 2.160 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 2.987 7.867 0.024 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -38.331 12.369 13.209 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 0.433 2.656 -7.507 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 -3.723 1.224 0.875 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 -2.971 -5.771 9.401 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 -2.511 3.950 -27.407 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 2.668 -2.930 -5.184 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 2.381 2.287 -7.170 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 2.483 -8.507 1.410 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 3.023 -2.707 0.281 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 6.085 2.120 -6.520 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 -3.675 -13.615 -2.120 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 6.194 0.366 -12.029 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -1.272 -2.424 -11.869 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 -5.269 -3.904 5.676 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 3.687 -5.118 1.695 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 0.689 -12.706 0.687 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 13.294 19.553 0.624 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 0.963 -3.617 -6.186 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -5.153 -10.655 -9.864 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 11.040 -7.199 -5.771 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -2.787 -2.009 1.247 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 -28.056 -5.197 -7.940 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 -2.184 -30.263 9.427 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -3.885 0.224 -0.657 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 -10.234 -1.270 7.497 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 7.494 5.910 -14.361 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -3.621 -0.625 0.357 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -2.013 8.647 -4.619 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 -3.056 -7.954 -1.689 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -1.264 6.689 1.100 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -10.202 18.118 1.066 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 -2.762 -5.859 -2.583 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 8.057 -0.772 2.958 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 1.620 -7.059 2.111 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 33.965 4.530 -3.240 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -4.858 0.350 -3.430 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 -15.147 5.044 -12.198 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 3.703 -5.976 12.291 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 6.342 1.082 1.222 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 -8.281 20.822 3.001 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 27.822 17.323 -15.838 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -0.228 -6.351 0.393 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 7.240 -1.123 4.390 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 7.090 3.907 12.483 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 3.212 1.298 -6.514 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 -4.189 4.078 -8.651 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 6.030 2.647 -13.377 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 1.348 -2.847 -3.854 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 3.619 -3.630 4.400 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 -0.644 1.252 -6.084 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 1.046 7.651 6.828 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 2.224 3.786 -0.430 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 -9.160 12.733 11.139 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 0.105 -2.062 -2.812 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 12.641 -11.456 -9.035 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 8.668 -10.850 -8.137 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 3.368 -0.464 8.088 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 15.411 1.813 19.744 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 5.840 -15.686 1.665 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -1.325 3.874 1.323 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 -5.538 -7.398 -4.733 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 5.132 -1.867 0.012 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -4.249 -3.400 5.113 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 -4.468 17.611 30.244 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -8.094 8.127 2.664 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 2.872 0.331 3.393 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 4.936 -3.946 5.712 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 29.201 -15.689 -13.590 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 2.958 2.506 -0.183 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -11.195 -1.696 9.470 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 11.941 14.318 10.394 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 0.876 -6.443 0.447 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 -2.325 26.959 12.963 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 -1.971 -7.531 14.850 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -0.195 -5.295 -0.298 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -6.480 -0.770 -0.677 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 7.613 0.509 -3.195 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -2.077 -3.188 -0.367 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -10.601 0.693 27.298 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 3.548 -13.236 -5.953 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 1.875 -3.221 -5.385 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 -16.019 -10.310 19.522 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 3.640 -5.625 2.652 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 0.098 6.039 2.125 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 -2.052 2.557 -7.036 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -9.915 -4.069 -24.405 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 2.653 -0.083 -0.393 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -10.089 12.846 -10.052 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -16.119 20.791 -16.138 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -3.008 3.483 -2.182 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 2.550 6.728 -10.962 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 -16.450 14.533 -4.982 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 -0.964 0.388 4.418 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 -23.061 35.704 6.125 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -3.076 -12.473 5.821 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -3.201 4.668 -1.334 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -1.627 7.660 3.071 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 5.486 8.717 17.767 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 2.131 3.398 -1.335 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -9.348 8.676 14.265 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 0.586 1.631 29.687 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 0.146 0.127 -0.881 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 -6.379 27.249 10.794 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 1.939 -10.030 -8.528 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 -2.676 1.171 -5.502 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 2.638 -12.624 -0.162 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 -11.948 4.714 -0.057 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -0.640 1.546 0.321 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -0.280 23.662 27.507 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -5.384 20.554 23.087 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 2.580 -2.319 -0.705 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 12.774 -13.627 7.420 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -5.998 5.263 -2.254 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 4.419 -6.515 3.363 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 -4.833 5.660 -2.789 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -14.040 11.933 10.203 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 5.479 -2.945 0.757 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 7.406 1.533 4.423 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -6.931 -4.739 -3.685 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 3.345 0.413 6.464 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 -3.315 7.338 -13.352 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -9.292 10.536 1.632 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 2.092 3.490 -5.973 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 2.933 0.355 -4.852 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -1.362 3.105 -5.983 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -4.013 7.607 -5.078 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 0.030 -3.607 14.415 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -19.513 23.454 -3.142 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 -2.098 -4.605 -7.693 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -4.322 -15.289 1.863 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 19.281 17.952 -7.119 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 7.488 -4.567 5.767 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -1.590 -3.617 -1.731 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 23.281 3.630 15.875 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -2.630 4.194 -5.757 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 12.510 2.200 -15.619 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 -7.446 4.790 -0.091 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 -0.362 -1.620 4.728 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -9.037 13.161 3.064 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 7.447 -1.134 19.502 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 0.931 0.619 -0.988 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 4.366 15.776 4.578 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -2.247 -11.182 2.625 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 -7.184 1.884 -5.203 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -1.317 5.874 -7.333 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 -0.709 6.491 -7.574 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 1.363 9.039 6.709 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 -2.821 11.231 6.018 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 -5.846 17.152 7.653 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 6.233 -0.222 -0.601 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 12.931 21.839 11.626 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 11.723 10.371 13.276 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 1.055 1.408 0.435 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 2.776 13.989 -0.899 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 -12.993 -2.236 -10.492 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -3.321 -2.325 0.609 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 1.537 -7.144 -24.499 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -7.301 -9.311 -16.755 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 -3.369 2.626 -2.737 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 -0.161 7.554 -10.586 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -4.430 1.603 -15.782 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 8.309 -5.216 3.420 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 7.995 -2.365 7.813 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 10.534 -21.543 -0.462 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 -2.827 5.152 -2.426 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 12.448 0.077 -2.931 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 -7.497 4.025 -17.581 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -1.848 0.391 -5.726 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 -21.235 -0.830 -28.804 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 20.533 37.070 12.105 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 -1.985 0.677 0.945 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -1.259 -8.712 6.260 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 7.590 -6.061 -7.497 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -2.357 -4.393 -2.021 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -2.327 3.131 3.103 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -16.614 -1.188 -11.216 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 0.529 -1.814 -4.779 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 2.133 -5.469 -5.598 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 0.025 0.124 -1.259 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 -2.808 -1.883 -5.192 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -7.015 -1.446 -9.559 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 20.195 10.625 5.950 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 -0.201 4.982 6.310 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -7.615 0.056 5.653 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 15.033 10.550 -1.877 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 1.991 4.247 -0.542 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 0.213 -17.563 15.056 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 3.915 9.108 6.390 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 -3.890 -4.269 1.673 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 -9.632 -10.966 0.606 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 -14.592 -15.281 4.058 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 2.193 1.371 1.669 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 -9.160 8.324 -4.048 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -2.172 0.067 15.928 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 2.578 9.493 1.083 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 -2.142 9.461 -5.802 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 -1.146 -12.208 -3.753 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 -0.636 -8.366 -7.471 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -7.020 -3.805 -29.051 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 -1.663 18.092 11.361 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -0.042 0.888 4.866 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 1.850 17.540 3.977 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -9.492 -1.879 -4.156 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 -0.108 4.065 -0.359 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 -1.996 -2.096 -8.657 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -2.685 18.972 -10.182 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 2.992 -4.430 -2.371 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 -0.413 -6.004 3.229 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 -6.461 2.213 0.881 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 2.344 3.685 1.950 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 7.722 2.392 -7.892 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 -15.309 14.553 1.934 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 1.263 3.032 7.970 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 0.814 2.714 10.122 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 7.433 -7.105 -0.665 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 2.440 -0.147 -3.470 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -5.176 -29.204 3.001 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 33.324 1.875 -1.199 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 -1.217 -3.364 1.438 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 13.517 3.797 -1.102 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -5.045 -6.087 -0.778 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 -0.154 -2.320 -1.928 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 -17.140 -20.530 11.336 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 -13.530 -17.015 8.550 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -3.267 2.566 0.074 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 10.357 6.046 11.060 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -12.043 0.002 18.085 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -3.986 5.546 -4.057 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 8.336 26.783 18.737 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -0.662 4.953 -13.890 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 2.533 0.867 -2.749 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 -3.394 -12.197 23.187 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 17.626 -14.096 7.712 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 3.854 0.294 1.131 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 2.580 13.320 -6.823 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 8.678 -11.758 13.954 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 4.277 -5.996 -6.539 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 7.458 -7.967 -0.239 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -0.448 -2.085 -12.539 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 -11.508 -0.319 -10.426 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 9.896 1.866 -2.597 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -12.602 2.549 -21.585 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 1.721 -4.471 2.220 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 12.712 -8.186 12.664 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 5.625 -10.693 -11.951 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 3.622 -0.742 -5.313 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -16.434 -17.112 -0.324 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 22.518 9.863 -0.117 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -4.315 0.309 -3.648 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -15.276 1.088 9.065 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -15.774 0.378 -14.763 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -5.357 7.397 -2.342 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -1.941 3.108 -5.585 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 -9.709 5.860 3.635 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -1.462 -1.322 -0.261 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 0.403 -1.734 -4.257 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 3.871 -3.395 -1.182 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -5.771 4.842 -8.575 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -15.139 -8.005 -4.738 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -15.660 8.547 -3.161 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -0.340 -8.880 9.568 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 4.965 -12.050 -0.464 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 -7.740 3.262 1.009 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 -1.520 0.342 -0.095 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 0.805 10.605 -10.203 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -14.080 21.516 -2.621 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 3.423 0.886 -4.111 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 8.774 -17.342 16.146 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 30.773 -15.870 24.478 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -2.326 1.700 -4.983 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -1.447 -8.834 -11.610 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 -0.429 -18.055 -16.332 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 1.410 5.060 1.648 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 11.555 -1.785 -0.492 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 10.824 22.678 -10.761 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 0.621 2.463 3.395 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 1.926 7.465 -7.873 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 8.812 16.945 8.970 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 0.818 -3.537 -0.580 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -4.527 -8.968 -2.646 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 12.938 -3.469 7.998 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -3.394 -1.735 1.939 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 -4.782 -5.827 7.703 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -10.441 -16.680 -17.559 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -0.260 -1.115 -4.259 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 -4.651 4.043 11.384 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 8.364 -0.433 -23.297 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -0.884 4.687 3.390 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 25.456 14.032 -1.497 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -3.075 -13.351 -9.146 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 4.292 1.012 3.261 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 1.095 0.276 -2.350 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 11.115 -1.231 23.633 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 -3.459 -1.155 -4.801 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 2.174 10.414 -12.356 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 -13.722 -17.378 24.184 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -0.328 -6.664 -7.513 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 9.257 -7.138 -2.061 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 5.286 -7.619 -5.787 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -2.829 -0.966 3.518 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 16.296 2.256 -0.772 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 17.270 8.205 -19.919 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 0.436 0.855 3.738 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -1.826 5.339 15.811 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 21.859 -35.318 -5.844 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 0.632 -2.557 8.369 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 -0.875 -6.297 -29.084 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 9.105 -10.451 -7.572 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 -2.589 0.892 -4.396 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 0.599 -0.472 1.263 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -8.716 2.749 -16.136 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 -5.419 2.525 8.036 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 0.935 12.046 4.517 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -15.719 7.144 12.254 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 -3.837 -0.411 4.661 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 9.346 -7.019 -6.822 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 8.406 24.081 -1.748 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 -1.758 2.712 -1.604 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 -16.314 -10.586 -1.476 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -9.725 -4.425 -3.583 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 0.089 4.891 -0.389 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 7.072 7.300 15.098 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 -14.070 14.920 4.389 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 0.641 5.514 1.447 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 -21.529 6.514 -2.249 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 -6.462 -0.809 4.012 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -1.546 2.985 -0.479 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 -9.363 3.143 -14.260 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 12.045 -14.199 2.267 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 0.318 -5.005 -5.376 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -0.236 -4.203 -3.255 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -13.568 23.592 -27.834 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -9.295 -3.895 -6.751 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 -3.815 -4.119 27.872 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -5.593 15.134 0.678 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 0.259 0.170 -0.828 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -1.704 18.486 0.582 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -28.625 3.181 -6.203 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 -2.124 -0.702 -7.087 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 21.979 -5.663 -18.194 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 3.068 -6.117 -15.054 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 -2.265 -5.341 2.279 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 3.168 -2.150 -3.090 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 -15.734 -10.592 12.371 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 -0.020 -3.170 3.649 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 -20.264 -24.745 2.605 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 23.933 6.900 -3.881 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 9.147 -4.340 -0.757 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -7.823 18.055 -27.490 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 13.899 -11.222 6.797 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -1.330 6.110 -2.577 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 -0.307 1.591 -2.067 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -3.205 6.222 0.647 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -0.670 3.984 4.117 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -5.733 18.179 -7.404 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 6.252 -1.705 -3.000 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -2.005 -0.875 -2.790 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 7.737 10.950 -13.973 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 -15.117 -16.723 14.335 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 2.081 3.494 -5.042 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 -7.916 4.443 13.189 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 -6.790 -4.488 -2.963 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 0.822 -9.156 3.621 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 11.722 -11.019 -4.020 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 -12.582 17.074 12.772 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 2.020 1.101 4.075 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 25.150 15.824 -14.920 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 -5.013 -3.078 9.584 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 2.293 -2.313 -3.614 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 -6.765 -6.656 -11.356 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 -6.939 0.506 9.088 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 -1.562 7.583 -5.863 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 0.716 -2.083 -7.769 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 -7.473 10.632 4.248 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 4.449 2.430 3.493 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 -4.073 11.254 2.456 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -2.033 3.674 13.001 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 4.671 6.650 -2.854 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 19.973 15.393 4.983 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -1.709 -3.770 2.655 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 2.950 -2.002 -7.243 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -7.463 -5.549 -1.645 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 3.416 -7.058 10.654 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 4.697 1.873 4.303 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 5.371 6.459 -14.721 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 13.193 18.872 25.285 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 0.956 -2.406 4.949 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 9.128 -19.124 8.550 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 -6.839 6.953 19.179 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 -0.948 -2.490 -2.093 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 0.782 0.685 2.067 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 0.451 -6.067 -19.009 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 1.108 3.384 -10.944 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 -1.932 -10.260 -10.347 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 8.591 4.891 -5.382 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 2.291 5.707 -0.567 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 -28.269 2.477 -9.553 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 21.840 2.699 -6.247 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 -5.929 2.833 1.409 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 3.778 -8.115 -9.514 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 -1.906 -1.121 18.425 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 3.058 2.415 1.483 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 20.301 -4.754 25.849 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -14.518 13.221 1.325 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -1.562 7.738 2.010 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -20.418 -0.607 15.281 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 10.337 2.147 2.121 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 5.625 -4.070 -6.566 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 28.235 12.490 4.931 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 12.927 10.621 2.523 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 6.699 -4.671 -0.923 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 7.062 -8.136 -5.765 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 6.993 -6.534 9.373 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 3.489 4.725 5.760 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 -15.696 2.724 4.141 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 23.001 7.490 8.110 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -0.256 -9.712 1.919 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 -7.532 3.751 -12.517 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 22.169 -16.765 -1.087 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 4.262 -2.894 -2.074 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 7.745 -8.510 -14.565 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 -18.788 11.625 -1.436 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 11.293 -3.043 -1.489 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 -6.415 -8.755 21.086 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -4.147 8.556 -6.589 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 6.716 14.203 2.558 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 17.139 16.478 2.607 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 -10.394 18.183 -7.040 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 0.604 -6.232 3.681 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 -20.707 8.647 9.065 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -14.437 14.670 5.880 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -3.241 -3.907 -3.430 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -3.182 -8.858 -1.162 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -2.670 0.398 -5.016 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -2.704 -6.193 -5.440 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 5.113 -34.867 -21.609 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -23.249 -13.930 1.278 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -6.592 6.449 -5.680 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -2.424 -6.089 -11.272 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -7.616 13.937 -15.794 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 -9.698 0.703 5.135 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -15.638 -4.828 5.907 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -15.440 9.016 2.719 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 8.057 2.331 -4.600 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 8.800 -18.902 6.353 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 -14.215 7.000 -24.175 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -3.439 7.052 3.724 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 2.706 1.373 11.006 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 -15.603 10.743 0.402 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 -3.300 2.011 -6.184 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 3.415 -13.747 -6.256 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 -3.026 -11.185 -5.739 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 13.085 -3.655 1.026 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -1.464 -11.831 -1.846 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 18.685 -3.864 10.272 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 -2.984 2.845 -2.887 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 15.157 2.979 -12.205 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -9.947 2.687 0.707 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 -2.018 1.059 2.552 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 -4.419 1.031 6.402 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 -6.375 5.928 0.003 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 -0.957 -3.420 2.250 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 -7.733 5.253 1.797 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 23.446 6.986 -8.469 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 4.790 0.044 1.128 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 8.097 13.456 -1.372 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 10.644 -3.374 13.543 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 4.453 1.460 -6.507 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -28.720 21.693 5.446 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -16.859 -4.720 9.075 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 -0.647 -4.196 -2.436 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 0.578 -1.085 2.808 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 -3.422 -7.197 -3.694 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 -5.278 7.821 3.966 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -3.322 -0.372 -1.682 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 -1.423 -0.098 -11.190 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 -1.603 4.042 4.705 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 7.953 3.360 -14.865 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 16.448 1.237 15.722 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 3.783 -7.601 2.333 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -26.041 -32.928 -17.129 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 12.051 24.702 -6.929 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -0.392 -0.189 -1.324 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 8.474 -13.772 -27.132 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 7.002 -7.258 -10.359 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 3.800 8.665 3.536 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -25.378 -8.633 12.382 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 15.586 24.956 1.920 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -1.694 -2.322 -0.105 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -2.099 -3.467 4.084 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -1.648 1.404 -11.767 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 3.549 -3.077 -0.159 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -25.470 -15.404 -2.626 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 0.630 -10.344 -3.791 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 -8.051 -7.071 4.442 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 -1.133 -11.711 14.437 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 0.099 -3.919 19.389 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 -3.333 0.314 0.464 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 10.246 -2.899 -32.136 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 12.985 24.457 -11.499 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -8.501 -1.593 -2.236 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -6.654 2.388 0.737 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 17.339 14.323 8.119 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 -3.040 4.313 -3.347 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 0.497 -0.449 2.329 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -2.366 6.303 -9.315 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 2.188 -2.537 -6.680 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -13.045 11.876 -6.172 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -4.601 -18.788 4.894 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -3.851 3.794 -4.803 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -21.419 14.632 -18.461 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -16.503 -9.585 -21.046 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 1.710 0.294 -1.881 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 -22.616 -12.401 20.272 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 5.693 -1.877 -8.379 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -1.553 -8.988 0.966 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 6.305 24.411 39.535 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -21.532 4.964 20.450 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 2.018 -1.278 0.580 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 16.795 -13.911 2.943 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 -11.343 11.115 22.311 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 2.763 -1.054 -0.865 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 6.466 2.375 -0.772 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 -9.304 -12.410 -4.523 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 6.416 -2.289 5.528 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 1.333 -4.114 15.808 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -13.433 0.087 17.430 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 5.758 0.307 -0.453 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 17.889 -5.909 -4.062 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 22.544 -6.925 -7.343 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -1.847 -0.173 -8.282 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 12.336 1.226 -30.297 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 13.005 -3.292 -0.024 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -3.739 -4.842 1.259 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -5.903 15.749 -0.694 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -4.809 -6.699 5.701 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -2.551 -3.616 -0.913 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -15.706 -7.087 15.010 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -5.123 -0.616 -10.149 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 -0.414 -3.880 -1.568 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -16.873 8.696 4.263 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 5.808 -20.639 0.296 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 2.088 0.503 4.623 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 9.038 30.172 16.486 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 -16.209 -14.480 21.449 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 0.124 0.957 2.331 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 18.295 36.742 -0.797 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -8.745 -0.522 8.382 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 1.688 1.535 -6.787 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 8.687 -2.793 -1.208 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 11.732 6.746 -1.847 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 1.182 -1.776 3.340 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 7.850 -5.937 5.496 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 3.426 -4.384 5.169 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 -0.749 -3.076 -0.909 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -1.034 7.205 18.396 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 -5.765 -3.593 1.510 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -2.867 1.725 -1.918 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -2.366 6.207 -4.575 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 2.536 -19.781 2.508 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 -3.091 2.567 -8.522 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -17.120 20.321 2.333 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 18.033 7.689 0.227 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -10.686 3.112 -3.923 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 6.333 15.088 -11.349 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -2.078 8.249 -2.898 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -2.326 -6.635 3.946 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -18.716 -35.195 8.319 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 29.592 -17.130 15.915 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -1.638 3.000 -3.646 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -15.934 7.626 -21.600 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 1.483 -7.729 26.884 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 2.170 -2.871 -1.145 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 5.665 -1.911 4.189 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 -8.414 5.273 19.846 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 3.419 -5.138 4.601 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 -16.463 5.875 3.650 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 5.882 -5.169 8.882 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 0.372 0.658 3.879 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -6.445 -10.034 2.507 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -10.615 16.482 15.243 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 -6.453 4.147 5.487 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 -7.705 11.819 4.288 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -17.874 5.975 15.411 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -1.771 3.323 4.448 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 8.984 -2.551 8.197 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -25.095 18.579 0.496 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 1.856 -1.964 -1.944 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 14.067 5.793 -11.029 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 -24.295 -22.412 -14.126 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 0.055 -8.068 -5.421 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 -13.849 -0.604 -3.507 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 9.011 -0.709 -4.765 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 2.557 6.873 -0.131 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 5.191 9.332 21.708 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 10.769 11.391 -16.159 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 -0.863 -2.824 -4.328 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -38.693 -7.231 10.175 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 -20.836 -4.837 2.260 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 -0.808 2.148 -1.955 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 -0.502 5.531 -13.845 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 0.415 -4.359 7.517 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 2.349 -1.437 1.590 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 28.932 15.352 12.837 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 18.148 10.997 9.595 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 -4.567 -4.256 -0.752 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 -6.020 7.122 0.525 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -5.465 -4.270 -7.191 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -3.356 -2.879 10.183 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -6.755 -7.109 5.651 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 0.602 -33.096 -19.139 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -0.246 -4.484 -1.798 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 11.037 -5.383 -11.290 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -22.595 7.612 -5.837 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -5.197 -0.411 -2.330 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 5.817 -10.527 -15.599 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 25.647 -13.172 6.618 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 -0.957 -1.112 0.996 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 -6.063 -13.363 -7.588 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 -0.512 -1.956 -1.500 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -5.988 -0.482 -3.041 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -12.651 -5.136 0.879 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 5.548 13.905 7.583 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 3.155 -4.290 2.262 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 0.511 -25.673 3.789 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 -6.175 -16.855 1.291 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -0.464 0.713 1.977 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -2.676 -6.231 0.012 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 -2.189 3.271 11.428 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 -2.668 -0.074 2.309 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 3.701 8.526 6.166 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 11.745 -8.502 -7.525 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 2.240 5.207 7.154 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 20.963 13.032 5.309 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 -9.876 -8.250 7.275 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 0.174 1.865 6.187 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 -0.513 -7.517 1.567 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -1.413 16.069 3.023 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -2.757 -2.081 5.989 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -0.234 -25.253 -12.187 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 -20.370 -1.952 3.856 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 0.988 -0.614 2.289 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 22.232 7.161 8.879 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -2.741 2.015 -21.275 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 -1.778 -2.183 0.778 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 15.495 -4.262 -11.856 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 -7.369 3.140 12.320 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 0.541 2.784 4.512 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 -7.079 -10.502 31.640 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 1.466 -3.927 24.037 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 6.844 -2.908 0.213 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 -17.279 -25.704 24.243 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 9.560 4.776 -3.570 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 5.789 6.481 -0.610 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -8.457 9.629 -17.401 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 5.284 5.021 3.350 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 4.217 -2.831 4.916 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 2.948 19.229 -10.453 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 -1.428 -6.707 5.411 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 2.303 -3.178 -5.334 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -7.934 5.391 4.518 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -8.193 -4.666 6.848 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 8.311 -4.334 1.509 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 14.689 -4.785 23.978 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 21.240 13.313 -5.627 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -0.542 1.092 8.785 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 17.162 18.788 20.282 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 -7.983 -11.175 -0.560 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 4.397 -0.462 -1.139 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 -19.896 12.564 19.712 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 16.731 -11.137 29.436 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 -11.899 3.929 6.446 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 -7.875 14.428 -11.901 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 4.720 -3.045 7.038 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 -1.156 2.940 -4.650 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -4.034 -13.339 19.942 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 1.058 -3.177 -6.234 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 1.009 -5.231 -1.986 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 12.245 10.839 17.771 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 4.548 7.214 -26.275 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 1.550 1.657 -0.880 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 -2.094 -4.449 14.685 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 -0.828 -0.014 9.892 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 4.038 2.241 2.630 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -3.636 -2.171 -20.208 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -4.352 30.357 14.136 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 -2.335 4.292 -0.772 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 27.536 27.273 -12.727 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 -4.514 -11.455 -5.321 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 6.480 3.376 3.387 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 20.075 8.482 5.316 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 -0.949 -2.615 -7.316 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 -0.534 4.903 1.204 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 9.276 -6.756 5.231 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 -15.641 12.978 12.124 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -3.825 -1.559 0.638 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 5.642 -1.530 -9.000 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -11.506 -12.531 -1.804 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 8.130 -4.394 -11.007 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 31.045 -2.193 4.086 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -14.924 9.397 7.642 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 1.464 0.501 -0.173 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 13.641 5.009 -2.972 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 4.341 -0.340 -3.726 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -1.747 1.867 -3.955 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 3.875 16.876 -2.047 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 0.803 9.966 -3.617 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 6.920 0.228 -1.576 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 14.461 -5.917 -9.498 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 4.789 -3.469 -4.192 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 5.996 -2.256 3.872 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 19.365 19.398 -11.132 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 6.581 -10.755 -13.279 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 4.462 -2.122 0.546 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 12.844 1.986 -8.061 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 -0.314 -16.525 -14.129 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 6.029 3.335 -0.388 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -17.995 -10.574 -12.850 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -6.961 -3.523 -8.331 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 2.293 -0.059 5.683 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -18.346 -1.635 -8.040 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 -5.235 16.526 -13.752 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 -2.883 -10.865 -4.752 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -8.903 -13.351 1.510 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 8.178 -8.564 -9.501 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 -0.488 3.045 -3.829 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 -0.185 2.614 -8.472 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 -1.849 7.431 -3.476 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -5.696 5.917 -3.450 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 2.093 17.097 -11.863 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 0.127 13.256 -11.295 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 3.311 -0.482 4.387 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 3.043 -17.199 22.365 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 23.798 -6.126 -10.899 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -2.947 -1.940 -3.274 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 7.143 -14.326 -14.662 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 -17.404 -8.946 -0.918 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 1.024 3.711 -1.351 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 -11.817 8.253 -9.638 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 1.340 11.341 12.460 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 6.816 -0.711 0.910 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 -5.885 -5.767 11.742 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 4.896 -10.977 -12.334 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 3.794 2.190 3.153 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 4.843 5.442 14.328 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 0.267 8.528 17.726 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 1.240 -1.042 -7.437 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -21.336 -4.887 11.174 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 9.226 -20.620 -22.008 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -0.779 -2.156 -3.321 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 -0.563 -23.637 -5.030 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -17.170 22.026 11.755 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 9.281 -0.241 -7.244 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 1.753 -25.672 2.725 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 15.608 -0.916 3.250 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 4.072 0.250 5.155 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 20.407 -14.167 6.918 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 -8.229 3.858 12.234 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 1.947 2.420 -5.251 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 -0.900 2.687 -3.466 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 0.624 2.543 -4.725 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 -1.975 2.076 -4.916 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 -1.156 18.739 -14.291 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -3.276 -17.077 2.153 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 2.736 -4.488 -7.422 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 -11.328 -12.457 -5.061 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 13.185 -16.675 -9.401 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 -1.976 -3.227 -9.260 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 5.860 -3.636 -4.190 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 -8.927 -6.038 -7.668 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 4.035 2.477 -0.426 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 31.105 -4.825 -5.301 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 6.736 2.123 -1.007 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -0.056 1.902 -1.360 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 -4.744 -17.522 43.830 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 0.619 10.017 8.723 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 -2.837 -0.193 4.131 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -8.874 5.922 -1.115 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 0.268 -13.365 9.599 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 8.350 -6.403 3.344 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -6.960 -16.724 0.947 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 19.300 -11.556 13.749 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 -5.526 8.433 -0.439 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 -6.579 7.668 -1.035 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 -9.551 4.940 -0.915 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 1.990 0.766 -0.964 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 6.194 0.990 10.583 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 2.656 -0.613 -9.284 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -6.057 -0.084 1.420 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -6.146 2.225 6.036 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 -6.775 -3.646 2.831 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 1.234 -1.746 5.360 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 3.849 -2.264 7.037 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -1.491 -1.086 3.850 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 0.782 1.221 3.550 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 2.940 12.854 6.134 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 4.202 10.300 6.177 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 -6.153 4.450 2.199 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 -0.165 36.883 0.685 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 15.022 -28.839 10.735 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -2.888 -0.432 5.224 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -8.234 -13.975 -7.446 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 -1.065 -0.318 8.378 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 7.069 -0.171 -0.015 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 13.582 19.204 13.219 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -2.604 15.992 6.947 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -2.460 -4.906 -2.925 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 18.369 -15.139 12.296 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -10.900 -3.580 3.537 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 5.226 4.025 7.516 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 4.968 -1.062 3.388 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 23.638 7.325 -16.424 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 0.008 -7.292 -3.538 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 -12.602 32.755 21.623 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 -12.958 13.106 -3.065 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 5.146 4.860 -1.422 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 13.572 5.129 5.906 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 9.574 14.101 1.925 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -1.532 -3.401 -0.310 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 14.605 26.446 14.163 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 -26.509 11.169 -18.470 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -2.282 2.260 2.324 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -16.626 -7.187 -4.476 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -7.052 15.739 5.139 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 11.094 1.151 6.120 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 13.072 4.748 7.063 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 14.569 15.237 8.958 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -0.851 0.438 4.335 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -18.718 1.788 2.057 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 3.104 16.786 10.161 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 5.806 -0.096 -4.328 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 1.217 -0.463 -18.818 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 1.810 17.547 25.639 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 6.557 -3.180 -0.036 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 12.917 30.642 5.104 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -20.217 -9.794 21.303 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 -3.329 -5.132 5.101 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -5.423 -34.226 13.042 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 2.360 24.160 4.145 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 5.402 2.083 -2.032 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 -14.691 9.187 -8.803 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -3.846 22.228 -15.936 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 7.089 -5.696 3.332 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 10.657 -7.450 8.640 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 5.423 2.019 5.608 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -0.944 -5.161 -1.585 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -0.265 -11.661 1.749 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -4.778 13.967 -13.481 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 1.178 0.445 -4.505 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 -2.384 6.065 9.745 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 -3.996 -3.838 -4.786 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 6.952 -0.021 -0.920 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -0.943 15.081 10.489 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 13.555 -7.731 -8.360 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 2.678 8.285 4.392 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -9.880 -1.414 3.144 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 6.487 15.399 4.818 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 0.189 -2.008 5.524 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 7.173 -13.003 -6.434 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 2.807 -2.628 10.485 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 5.537 1.396 0.950 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 8.575 13.393 -2.017 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 14.236 -4.921 -2.947 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 0.743 -3.654 1.961 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 22.718 21.361 19.224 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -20.145 -20.116 -14.829 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -1.423 9.132 -1.502 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 -7.781 4.808 -6.524 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 15.667 8.118 6.506 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 -0.419 -2.290 -2.232 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -25.130 -13.480 3.575 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 3.072 1.069 -17.960 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -2.864 -1.329 -6.103 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -14.619 12.585 -1.674 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 4.395 -2.538 4.509 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 3.604 -0.379 0.318 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 -1.213 1.217 -2.493 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -4.541 14.836 2.818 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 6.805 -1.094 -5.651 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 -1.542 9.658 -14.262 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 -6.461 -15.089 -8.008 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 -0.237 -3.500 -3.556 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 -5.531 -7.609 -7.684 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 9.265 2.320 -2.001 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 0.275 0.439 -5.598 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 14.113 -2.623 -7.250 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 7.714 3.426 -3.570 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 7.456 -1.411 -5.183 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 -12.537 9.347 -6.148 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 0.305 14.980 -5.558 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 4.552 -1.861 1.528 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -8.531 11.294 20.620 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 1.807 14.190 -2.680 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -0.914 3.635 6.330 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 3.900 4.728 3.690 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 -6.061 2.794 10.738 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -1.011 -4.079 -0.490 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 -11.406 3.606 -2.344 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 4.178 -16.379 1.114 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 2.408 6.224 -1.198 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 14.975 11.897 -5.471 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 -5.707 2.583 -0.973 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 -6.885 -4.017 1.652 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -4.152 -1.218 5.328 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -7.410 -4.542 -0.285 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 0.763 -1.459 1.035 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 -4.198 -19.794 -0.104 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 5.366 -2.371 1.565 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 0.399 -2.089 -7.452 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 12.672 -1.320 -0.354 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 8.919 -1.271 -1.201 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 1.351 1.700 2.260 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 19.054 6.209 -16.239 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 2.643 -28.522 5.339 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 0.075 0.022 -1.254 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 -2.618 -5.829 -8.279 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 -7.834 -26.312 -26.273 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 0.943 0.991 -2.239 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -2.510 -3.417 -10.340 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 -4.623 -7.823 -17.674 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 1.849 -7.949 1.474 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 -4.672 -38.437 -19.553 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -28.429 -5.385 -5.117 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 -3.772 -4.777 4.523 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 15.931 13.855 -21.811 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 8.310 1.811 -12.126 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -0.239 3.577 -1.345 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -1.084 6.099 -1.033 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -2.401 2.359 -0.968 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 -2.725 0.885 1.925 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 4.737 -3.418 -19.094 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 -3.297 -0.176 0.058 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 1.951 8.222 -1.474 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 -2.185 13.353 7.039 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 -8.847 14.545 -19.236 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 0.983 -3.071 -3.558 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 32.203 -4.739 -8.476 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 -10.589 9.350 -11.834 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 4.373 3.258 0.282 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 -16.704 5.436 -6.091 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 9.961 1.914 1.585 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 -8.258 0.165 -1.732 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 11.868 -1.353 21.344 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 -2.911 7.214 -33.917 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 3.328 1.084 -6.097 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -12.438 6.067 -5.010 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 -1.456 2.688 -6.428 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -0.667 1.596 -1.389 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 9.486 11.878 -9.786 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 -13.193 5.088 11.996 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 -0.557 2.136 1.174 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -0.728 32.818 16.391 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 16.488 -21.429 -2.034 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -2.143 2.945 0.942 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 -5.756 -5.762 13.968 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 -9.959 -2.110 9.584 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 4.782 -0.395 2.096 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 -12.966 3.225 -2.951 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -16.567 6.598 15.823 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 4.802 3.816 -2.822 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 10.111 -37.178 14.413 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 26.754 16.680 21.641 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 -0.997 -4.368 1.434 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 11.073 3.749 -5.776 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 2.635 -18.102 13.669 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 1.388 -2.942 0.283 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -18.279 -19.858 -22.263 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 4.590 -3.705 -10.330 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -6.756 -1.855 0.557 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 -13.326 8.645 4.598 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 -9.030 -6.454 -6.597 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 -0.424 0.477 -3.649 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 -14.811 -8.152 -3.986 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 5.426 5.366 6.750 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 5.519 1.560 4.091 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 11.660 5.949 2.761 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 -9.540 20.005 -12.926 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 1.859 3.026 3.636 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 16.611 22.873 -21.300 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 -19.740 1.814 -3.843 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 -12.330 5.652 3.331 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 -5.320 2.152 13.023 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 -21.141 -1.991 8.589 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 -1.251 3.273 -2.736 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 13.372 -10.637 29.536 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 2.896 2.526 4.821 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 -12.161 4.991 2.813 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 12.616 5.562 -1.524 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 -22.300 -21.158 8.394 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 0.476 13.992 -3.750 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -0.789 -13.762 3.939 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 -7.458 32.612 0.991 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 0.070 -3.463 -5.008 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 -17.623 2.329 -16.484 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 18.509 -16.130 -2.223 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 8.390 0.520 -0.798 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -12.954 -15.615 -14.669 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 -8.578 -7.985 7.352 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -2.698 -2.145 1.710 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 2.840 5.120 -0.264 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -7.610 -11.235 -28.666 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -5.371 7.804 0.456 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 -0.783 -11.899 4.280 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 3.549 4.089 0.008 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 -1.610 6.795 -5.489 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 20.287 2.117 -13.026 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 12.285 4.322 -6.594 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 3.227 0.433 2.874 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -8.527 0.740 -3.142 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 3.547 6.259 -1.118 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 -4.965 0.398 -2.490 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -5.718 0.775 13.394 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 7.173 -1.018 -13.278 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 2.092 -1.281 1.496 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 1.194 2.431 1.668 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 14.066 -2.128 0.879 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -8.782 -0.944 -0.663 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -15.060 -6.827 -4.584 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -19.764 2.571 5.180 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -1.702 -0.144 3.069 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 7.687 -18.928 3.891 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -19.757 -5.483 1.246 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 -0.359 0.220 0.923 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 -3.069 -0.946 -9.155 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -15.013 10.613 0.105 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 0.894 -5.350 -4.415 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 3.540 2.414 2.015 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 1.444 3.207 22.601 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 5.036 9.521 -2.309 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 -16.872 11.782 3.087 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 -13.433 5.951 2.695 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 0.462 -4.236 -0.717 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 9.366 -5.445 4.189 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 -4.730 -2.366 17.487 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 1.093 -1.479 4.496 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 5.140 6.828 3.054 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 -2.854 -4.703 15.248 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 -3.922 -0.868 -2.758 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 -5.758 15.437 0.637 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -1.673 -16.286 -5.084 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 1.632 -3.831 -6.035 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 -2.372 -5.336 14.763 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 -2.036 -18.750 3.905 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 4.350 3.921 -1.143 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 0.422 -1.563 2.406 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 0.832 14.721 8.608 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 4.074 -0.660 -1.287 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 7.997 -3.446 -0.041 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 5.434 0.353 2.101 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 2.943 -3.174 -12.608 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 -20.898 -16.410 -18.636 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 21.928 5.698 -4.534 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 4.230 -3.820 -0.924 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 34.125 -12.596 -9.830 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 -8.346 11.442 -15.639 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 0.998 -1.217 -1.239 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -16.121 -8.518 -11.693 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 -5.863 1.923 -27.008 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 -2.719 1.713 2.265 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 -9.748 2.258 -19.291 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 -7.733 2.092 -13.298 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 -0.922 0.928 -1.194 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -24.886 4.235 -12.493 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 9.255 -2.495 -12.411 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -0.964 1.466 -2.495 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -6.765 10.885 1.061 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 -11.209 21.592 3.341 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 -3.796 -2.995 -7.983 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 27.810 3.825 -23.473 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -1.629 4.978 -10.284 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 -3.451 3.361 -1.267 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 -1.936 -18.669 1.397 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 -1.375 2.364 3.137 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 4.966 -2.177 3.378 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 2.050 -10.683 -7.019 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 12.718 -9.589 -12.458 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -1.033 -11.799 8.867 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 3.449 1.255 24.472 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 -27.903 -8.308 7.871 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 2.779 1.873 0.978 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 8.292 -1.858 -5.000 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 -1.678 -3.267 8.356 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 -5.632 -0.148 0.251 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 29.884 -17.601 1.821 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -11.587 -16.366 -5.863 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 3.710 0.479 1.817 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 3.476 -0.681 -4.498 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 2.922 1.985 0.722 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 -2.572 -0.062 1.541 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 9.596 -6.471 9.334 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -14.667 6.768 2.205 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 5.321 0.537 -6.750 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 -24.778 -14.420 -0.684 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 12.027 11.354 2.337 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 1.344 1.840 -4.490 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 21.461 -6.220 -16.513 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 28.451 -7.399 23.325 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 -2.016 1.804 2.737 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 -2.425 2.390 3.154 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -13.918 30.028 -13.209 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -1.531 4.161 -1.705 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 12.231 17.890 2.969 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 6.462 6.524 6.205 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 -0.717 -2.334 5.831 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 -8.928 -12.117 14.716 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 13.830 -3.044 6.974 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 3.332 -4.836 1.750 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 3.106 4.280 -1.564 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 9.605 0.649 4.897 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 2.441 1.384 0.047 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -1.670 4.750 -15.014 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 4.970 -9.049 -15.364 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 4.639 6.748 12.024 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 -11.272 34.677 14.798 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 -8.683 -11.615 -13.896 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 1.252 1.523 -3.121 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 -29.745 9.514 0.775 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 17.580 29.117 3.257 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 1.887 -6.401 3.732 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -1.524 -12.956 -15.729 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 3.132 -24.229 7.712 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -6.315 3.660 -5.618 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 -14.227 10.097 3.769 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 -16.376 11.292 -10.721 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 -2.388 -1.129 0.577 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 -0.091 -23.436 -0.781 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 0.485 13.991 -11.518 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 3.270 1.567 4.933 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -3.850 -1.464 10.644 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 15.124 7.519 -5.006 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 2.058 1.422 2.232 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 20.379 -8.721 13.746 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 1.884 -10.832 -16.784 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 4.661 0.982 2.839 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 11.170 7.721 14.128 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 32.392 18.461 18.579 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 -1.659 1.348 -6.777 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 -17.276 12.063 1.527 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 -4.297 13.695 -5.372 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 2.123 -3.649 -0.283 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 8.707 -2.244 20.424 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 15.865 -3.367 11.951 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 -2.042 2.515 1.962 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 21.175 -7.743 17.379 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 5.000 0.492 -3.365 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 2.632 -4.011 0.891 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 12.561 24.377 -2.120 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 4.191 -29.793 -18.473 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 1.139 -1.739 0.345 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 3.702 1.351 1.515 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 -17.833 0.908 0.315 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -1.153 4.428 -6.474 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 -12.736 1.395 -10.353 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 5.959 -19.800 -13.191 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -4.448 3.753 -1.390 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -6.451 4.306 -4.315 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -0.200 11.813 -4.455 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 -6.145 -2.461 -1.525 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -4.746 1.437 -12.906 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -28.144 -6.701 5.624 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 -4.438 -3.628 3.860 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 3.076 -1.373 4.715 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 -11.326 1.105 -6.596 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 -10.141 -5.543 4.396 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -3.249 7.297 0.721 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -2.667 -15.846 -3.671 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 3.056 3.327 -0.997 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 -8.937 6.240 20.954 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 9.017 -1.272 11.597 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 6.911 -0.728 0.350 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 6.387 -9.738 21.110 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 5.401 -0.125 -1.250 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -2.685 6.354 -7.515 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 -12.680 22.171 -17.728 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -4.631 11.809 14.970 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 -5.309 -1.339 5.059 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 -5.192 -2.059 4.025 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -21.588 3.257 17.714 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 3.140 3.988 2.718 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 4.477 8.175 -5.668 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 5.550 -5.313 5.426 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -3.141 -0.852 -2.903 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -4.902 -2.898 -1.382 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 6.076 3.041 -2.645 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 -1.063 -4.568 4.390 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 9.270 -10.294 -7.437 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 9.630 -15.186 4.834 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 0.513 5.854 0.205 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 3.585 -15.964 4.154 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 -16.061 10.193 21.628 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 -1.631 12.293 3.939 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 8.028 -4.373 3.290 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 -20.240 10.183 0.956 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 3.687 -5.357 -4.142 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 3.586 -15.607 8.490 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 1.550 4.961 -12.098 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -5.079 -5.467 -1.170 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 -12.371 -6.939 -0.412 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -5.778 -5.680 -0.823 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 3.742 5.165 -0.546 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -9.595 6.873 -12.003 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 25.480 -1.152 6.897 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -3.048 6.331 -9.392 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -26.251 -33.848 -8.677 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -1.161 19.559 -1.638 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 0.285 -0.761 -0.617 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 1.862 3.383 -1.292 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 2.947 -5.173 -7.110 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 7.651 -3.452 3.309 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 18.869 -14.442 -5.297 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 1.431 4.817 24.653 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -0.721 -2.259 -1.511 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -26.928 -2.047 -26.234 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -22.009 -15.686 -32.500 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 -8.131 -3.254 2.087 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 -5.410 8.639 -0.459 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 4.568 -2.544 9.619 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 0.136 -5.021 -5.520 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 5.408 6.089 33.050 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 17.477 0.531 13.139 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 -5.386 -1.853 1.167 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -18.537 0.633 -5.431 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 -6.708 -1.317 0.101 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 -4.627 -0.573 2.378 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 -0.915 -14.720 17.400 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 15.261 -7.036 -3.407 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -8.790 -5.740 5.170 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 -5.786 25.249 4.955 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 6.684 -13.942 30.283 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 -2.355 1.077 -3.408 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 -7.344 -15.512 -0.219 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 12.146 0.122 -7.066 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 1.071 -5.862 -1.426 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 6.279 0.208 -9.710 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 1.680 2.161 3.621 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 -0.237 4.120 9.955 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 5.830 0.262 -2.138 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 1.381 2.627 6.202 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 3.903 2.272 0.217 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 -3.025 12.244 12.157 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 17.292 11.330 21.312 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -2.509 -1.570 -0.986 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 3.311 6.362 18.754 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -30.890 16.343 -1.428 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -8.916 -1.209 -2.580 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 -1.430 3.252 0.018 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -10.779 -7.110 9.025 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 5.231 -3.334 2.566 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 6.378 -1.637 -0.270 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 -2.627 -19.810 21.809 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 -2.191 -3.486 2.876 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -1.964 15.930 -1.619 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 -2.020 8.435 -6.935 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 1.727 -2.278 -2.478 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 -9.949 -3.173 -3.064 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -0.025 29.408 -19.324 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -0.046 -3.364 -3.330 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 9.813 -15.573 -0.082 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 14.412 -2.907 -3.215 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -2.779 1.328 -0.283 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 -3.809 4.920 -5.717 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -3.190 6.382 -7.960 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 1.539 1.036 -3.397 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 -0.564 -3.117 5.131 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 2.910 5.810 13.631 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 7.155 2.560 -4.266 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 2.146 0.601 -26.012 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 -10.742 -10.998 -10.494 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 2.189 4.417 -6.079 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 0.557 -0.199 -6.796 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 -13.577 -7.414 -14.728 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 3.883 -3.129 -0.737 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 5.071 -0.751 -5.773 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 0.807 0.689 2.055 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 3.127 -6.033 -1.153 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 5.246 -7.890 15.434 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 -6.371 0.819 -26.468 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 0.942 -1.545 0.321 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 -7.093 -4.934 -3.993 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 -2.822 16.619 -5.294 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 -3.900 6.124 4.905 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 -18.227 8.962 -16.238 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -8.310 -17.017 18.839 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 -1.938 -7.120 4.733 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 2.124 -5.545 10.674 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 -9.153 -0.821 7.189 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 -1.975 2.907 -0.657 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -13.345 4.120 1.934 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 1.460 0.760 -6.266 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -2.141 1.846 -2.547 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -7.625 10.487 -7.018 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -6.701 3.047 -6.710 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 1.438 -1.236 -0.079 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 5.668 -6.972 -8.973 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 7.671 -5.761 5.708 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -0.492 -4.446 6.987 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -2.366 -5.782 2.444 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 0.046 -9.842 -0.085 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 3.739 1.395 0.691 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -3.850 -4.629 0.080 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 9.518 -5.781 5.749 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -0.797 -3.606 -1.121 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 4.924 0.167 -0.057 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 -5.671 -9.199 -2.863 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 -5.485 1.195 -2.301 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 2.550 3.705 -12.455 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 -11.365 1.663 10.143 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 0.557 -8.036 -2.373 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 9.674 -15.014 9.304 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 7.617 -1.160 -17.032 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 -3.462 -3.778 -4.035 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 -9.269 -6.458 -2.914 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -9.480 -23.490 -6.383 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 9.427 -0.313 0.437 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 21.100 -7.417 1.376 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 1.052 -8.957 9.352 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 -6.114 0.261 0.545 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 -12.639 -3.851 15.625 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -17.575 -26.681 -12.522 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 5.385 0.606 2.680 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 6.564 -8.828 -1.160 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 5.843 1.689 8.437 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -2.209 -1.205 -3.704 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -3.622 -5.672 -1.341 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -15.664 2.729 18.329 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 -3.142 1.695 0.026 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 3.240 -9.645 3.562 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 6.407 2.213 2.266 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 -0.416 3.502 -3.164 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 17.642 0.746 4.463 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 -22.008 31.771 1.746 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 1.425 -4.212 -4.893 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -1.517 10.531 -26.435 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 25.589 -14.817 1.236 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 -9.898 -3.170 5.473 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -1.812 14.557 2.139 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -18.775 -13.311 3.414 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 2.773 7.510 -0.912 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 21.639 9.039 -15.406 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 6.616 -13.460 3.935 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 3.813 5.213 -2.657 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -15.959 -1.929 -5.685 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 -17.221 -6.781 -0.067 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -3.268 -1.696 -1.441 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 7.374 -20.258 14.533 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 11.971 -4.612 -27.031 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 -1.756 -4.050 -2.317 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 4.363 18.657 4.037 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 24.139 21.589 -15.690 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 -0.437 0.980 -0.581 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 -9.293 -10.964 -1.021 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 26.758 15.395 -15.994 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 -2.999 3.740 -3.761 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 11.663 1.200 2.636 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -0.227 13.400 -15.949 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 3.339 -7.013 -1.121 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 11.032 -11.997 -6.593 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 2.817 7.637 7.761 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 -4.537 2.268 3.282 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -9.453 -0.716 5.590 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -3.906 2.443 3.396 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 -1.941 -1.054 -4.209 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 -19.452 51.348 0.995 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -3.361 -16.128 15.426 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 2.228 -0.613 2.165 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 11.794 -5.417 -3.755 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 -1.237 3.778 -2.903 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 1.845 -4.090 -4.732 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 4.597 13.861 -3.226 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 -4.010 -7.636 12.074 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 2.296 -0.474 8.222 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -14.040 -12.528 -0.129 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -10.199 -8.185 -15.821 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -2.522 0.618 5.122 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 1.617 -4.665 7.880 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 -6.332 -8.466 -5.244 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 -1.645 8.208 -4.687 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -6.747 9.528 29.812 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 -0.716 -1.781 7.840 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 3.493 3.714 4.212 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 -5.965 -2.255 -1.237 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 -21.544 -26.233 6.581 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -2.704 0.964 2.539 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -3.990 -11.139 -0.208 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -2.034 -8.558 15.135 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 -0.939 1.372 -4.326 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 11.149 11.830 -1.915 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 6.122 -21.899 -2.179 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 0.168 -2.417 5.956 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 7.390 -4.322 -26.120 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -6.434 -11.815 7.228 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -0.090 10.445 -1.931 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 -16.466 -6.100 4.281 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -1.761 9.593 0.752 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 0.146 0.822 -3.043 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 11.745 8.964 15.188 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -23.738 1.020 3.331 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 -2.379 -0.108 2.887 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 22.207 7.607 9.435 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 -21.758 -16.835 -0.258 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 -4.794 -0.077 -0.797 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 3.770 -0.761 -5.970 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 14.805 -9.454 -7.996 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 0.021 -4.327 -5.452 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 -5.319 -2.754 -26.311 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -15.457 16.400 10.203 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 4.656 -4.667 -1.357 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 -0.147 29.615 8.865 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 29.326 12.116 -13.707 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 6.316 5.485 -2.234 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 16.294 -19.333 -9.379 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 0.394 15.467 0.437 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 0.835 0.786 -1.634 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 23.489 -13.537 -23.316 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -6.291 14.228 25.339 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 -5.345 -3.567 3.223 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 -4.517 -1.855 2.527 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 10.575 -5.956 26.394 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 -0.256 -5.289 -2.623 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -13.550 -5.014 -1.538 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 2.949 -17.208 -2.933 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 -3.609 -0.695 0.222 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 5.754 -1.268 -2.014 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 1.412 -8.100 -4.170 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 -3.333 -1.962 3.757 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -6.350 -8.255 9.667 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -10.822 0.116 -0.355 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -11.736 -4.291 0.676 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 -3.114 -21.142 12.249 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -16.189 -2.218 9.168 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 3.129 0.879 -0.072 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 5.532 5.779 10.128 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 4.671 13.166 -3.435 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 4.390 -3.108 -1.338 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 15.980 9.402 -31.805 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 6.774 17.937 2.671 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 4.798 -1.525 0.723 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 14.425 -6.811 -1.641 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 2.452 2.253 2.315 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -2.115 6.904 -6.845 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 13.028 -6.413 5.528 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 9.078 -3.325 0.657 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 3.230 0.118 0.366 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 -16.349 16.815 -11.968 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 12.228 -16.531 4.402 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -7.519 1.443 -6.021 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -21.028 -5.587 24.409 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 3.120 -6.591 2.599 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 -2.572 5.095 -3.780 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 2.093 17.510 1.260 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 -7.625 3.434 -18.307 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 1.316 -3.346 3.051 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 -9.408 3.539 -13.521 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 4.245 -2.625 -1.628 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 -0.584 -4.195 4.047 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 2.172 -8.957 0.464 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 -9.791 -7.893 12.217 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -10.778 -5.517 2.381 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 -7.621 14.755 -6.623 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -12.332 -18.518 11.925 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 1.530 -1.806 0.078 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 -17.892 2.007 -1.770 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 9.729 -18.076 -2.782 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 5.042 -0.850 -0.728 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -3.036 23.739 3.787 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 6.617 0.859 -2.930 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -1.916 3.082 2.383 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 20.321 4.108 2.059 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -4.466 -15.286 1.059 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 0.041 1.767 -2.214 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 1.038 -7.559 11.269 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -4.026 -0.783 17.124 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 0.753 4.318 -3.233 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -4.153 11.038 -28.698 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 5.891 2.058 35.007 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -3.296 3.082 5.721 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 -18.833 -0.416 29.701 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -27.637 -9.110 -13.024 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 0.432 3.223 -0.078 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 -6.233 -1.590 -17.236 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 -5.927 -1.222 -17.301 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 3.915 7.071 0.768 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 -3.868 -16.166 -18.604 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 10.527 -11.700 -8.073 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 0.217 1.436 -1.878 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 1.820 4.264 0.803 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -2.475 -4.920 -12.278 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 0.234 -3.468 -0.577 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 3.691 -8.029 2.282 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 5.559 -4.987 -3.581 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 2.465 0.475 0.328 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 -12.160 13.777 26.281 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -11.178 -2.069 4.169 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 -2.019 -2.873 -6.647 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 4.570 6.197 -5.866 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 0.272 6.176 1.649 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 1.914 3.291 1.645 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 17.545 14.481 -0.757 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 20.578 6.441 -15.921 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 2.771 9.173 -2.708 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -0.947 6.306 -9.115 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 1.892 15.036 -14.526 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -0.307 4.726 2.474 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -5.135 -6.708 -4.364 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 -21.900 -5.396 5.917 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 2.064 2.358 -4.928 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -2.993 14.844 21.289 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 15.825 -1.002 3.508 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 5.754 -1.895 0.589 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -13.429 -4.622 -19.900 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -11.232 -5.781 3.970 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 3.487 3.203 -0.394 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 -0.091 17.492 3.368 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -13.006 3.329 -5.816 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 1.894 3.407 -2.038 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 20.093 -7.898 16.468 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 -3.652 2.011 11.567 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 -2.868 -5.083 0.594 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 -10.565 -0.258 30.613 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -8.381 -4.056 10.977 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -4.430 1.083 -7.259 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 -5.553 -3.557 -11.526 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 -5.796 0.646 -1.962 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 5.129 2.182 -1.645 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 6.458 -3.301 5.657 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 20.822 -5.330 -12.857 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 -7.789 0.297 -2.812 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 1.467 8.815 -2.353 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 1.501 11.351 -6.060 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 1.266 0.101 -0.922 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 8.197 13.482 -13.198 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 6.176 10.430 -1.413 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 2.904 0.377 -9.326 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 -6.756 6.761 19.482 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 -19.000 5.622 5.570 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 2.025 5.855 1.990 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 6.196 4.171 2.839 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 -13.976 12.956 -2.029 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 10.369 5.193 3.932 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 0.403 -10.206 9.612 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 -12.488 -30.098 15.762 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -3.208 -0.917 -0.130 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -2.613 -5.597 1.045 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -4.263 6.805 -0.936 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -2.077 3.776 -1.997 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 6.911 -8.836 -17.107 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -22.306 12.933 -17.175 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 -3.055 2.635 2.813 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 14.676 12.159 -2.599 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -5.630 -12.129 -0.660 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 -7.236 -1.348 -3.499 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 -9.421 -4.190 11.466 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -14.321 8.395 -9.323 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 0.642 4.571 0.479 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 -10.900 4.211 2.974 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 -25.905 -7.256 15.379 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -2.204 0.108 4.850 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 -17.070 4.678 7.714 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 -3.864 -11.391 -4.758 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -13.825 -1.491 2.975 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 -4.843 -9.918 2.487 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -8.110 -4.178 6.581 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 6.232 3.539 0.985 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 5.501 28.071 -16.649 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 9.722 -23.406 -4.467 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -2.168 -0.710 -0.175 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -21.819 23.619 -7.527 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 6.666 11.812 13.916 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 2.929 0.115 0.682 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 9.258 0.900 -1.591 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 4.160 -7.079 6.908 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 4.012 -1.315 -3.724 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -12.139 9.871 9.649 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -7.120 8.000 -2.444 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 6.776 3.504 -1.972 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 11.896 -2.677 -3.313 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 9.302 8.572 9.337 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 4.579 4.166 -0.627 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -20.276 1.382 17.114 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -4.860 7.027 -0.957 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 -0.277 0.527 -1.520 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 1.545 15.466 -17.132 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -9.554 3.704 9.974 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 -2.086 -0.908 -0.403 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -4.816 -23.814 1.207 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -3.190 -2.775 0.353 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 3.805 -0.728 6.625 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -8.136 14.175 -16.374 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 12.452 11.015 0.885 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -0.427 -1.091 2.044 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 2.474 -9.800 -1.399 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 -7.399 -3.720 -11.844 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 1.401 2.724 7.804 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 0.500 6.681 4.312 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 3.721 -2.627 4.207 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 -0.757 2.130 4.454 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 10.331 6.763 7.269 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -0.717 2.767 -6.786 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -3.336 -4.620 -4.656 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -19.355 5.312 -1.858 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -4.190 -13.668 6.409 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 3.723 -5.825 4.619 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 8.794 -24.266 1.454 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 18.943 3.739 -3.637 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 2.540 6.030 4.157 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 27.705 16.474 7.989 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 3.752 8.618 -18.104 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 -4.601 -0.040 -2.495 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 -10.993 13.973 -13.068 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -8.021 6.980 14.001 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 1.052 4.197 -2.642 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 3.552 10.828 -1.391 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 5.121 15.322 -3.239 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 -2.210 -0.793 9.620 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 5.315 -9.007 -4.057 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 18.282 -9.424 19.108 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 2.507 3.238 4.929 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -1.652 -7.555 -6.509 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 9.818 5.024 18.455 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 11.984 -3.176 1.338 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 22.444 3.846 0.820 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -1.620 -6.225 14.234 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 -0.527 3.205 -2.798 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -8.115 -1.105 -4.342 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 1.100 10.175 -12.606 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 3.478 0.118 -1.800 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 -20.667 11.419 -3.040 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 28.715 -6.512 6.814 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 3.669 -1.670 8.589 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -6.573 0.358 11.274 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 11.428 6.253 -25.948 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -5.715 -6.657 -0.137 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 -14.101 -28.923 -17.649 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 1.831 -5.053 -12.380 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 -0.089 0.574 -4.271 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 6.788 -12.261 8.810 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -2.145 3.421 -5.990 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -2.312 3.198 2.316 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 1.934 2.098 14.432 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 1.040 3.592 -7.635 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -4.249 5.508 3.126 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 19.541 3.450 -7.659 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 -19.598 -20.902 -0.688 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 2.064 -1.583 -2.535 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 -6.780 20.856 -18.815 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -29.494 -20.255 2.271 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 -4.666 -0.137 7.306 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 -3.872 -4.671 -1.259 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 -6.678 5.729 -1.256 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 9.576 -0.456 -0.097 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 -18.925 9.778 -13.434 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -6.097 3.785 23.706 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -0.018 6.508 2.357 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 18.486 13.249 6.684 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 7.905 -3.879 -7.548 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 0.826 3.576 3.647 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 1.389 -14.362 2.731 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -3.559 9.485 -12.075 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 -2.048 3.939 5.696 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 6.870 16.669 -4.059 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 -14.952 -5.002 7.564 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 3.205 1.004 -2.898 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 15.839 14.160 -13.234 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 16.256 8.561 -5.942 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 6.039 2.392 2.696 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 7.553 1.734 1.340 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 2.084 0.246 -10.289 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 -0.800 0.089 3.760 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 11.064 -10.580 11.127 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 16.121 1.625 -0.371 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -3.700 -3.044 3.849 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 8.797 8.711 8.175 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 -18.469 7.033 10.282 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 -3.959 -2.411 -6.408 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 -4.606 -8.819 3.119 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -1.255 -12.525 7.391 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -2.661 0.434 -3.166 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -4.992 6.455 15.629 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 17.404 -2.774 0.812 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 0.355 1.998 -1.889 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 -4.441 4.162 1.288 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 5.401 -2.919 -5.942 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 9.589 3.541 1.136 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 3.632 7.097 -15.071 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 21.244 -3.362 -15.801 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -2.043 -0.762 -1.055 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 -4.420 8.586 5.735 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -1.206 -8.359 -7.871 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 1.423 -3.682 -1.768 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 12.042 -11.770 18.541 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -6.454 5.225 -4.358 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -5.370 -3.016 0.848 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 12.424 -13.080 1.293 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 -7.160 -4.645 1.369 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 -4.979 0.617 3.834 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -9.918 10.907 -9.894 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 8.137 -8.437 24.891 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 -5.754 -5.240 -0.877 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 13.287 -16.807 5.759 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 10.601 -37.409 8.820 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 -9.427 -3.072 -0.130 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 -44.957 -3.335 8.379 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 8.649 41.770 4.267 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 2.967 -1.253 1.973 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 0.038 1.734 -4.580 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 2.566 0.923 0.420 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 4.335 2.447 0.540 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 -23.460 3.469 -5.389 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 -3.897 13.703 -12.629 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 0.694 6.183 4.240 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 4.813 -3.063 -4.134 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -7.246 14.423 8.029 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 -3.911 -0.049 4.418 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -7.785 -10.983 1.057 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 3.671 5.626 -12.122 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 0.509 -0.956 1.987 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 -15.979 6.658 -9.917 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -7.564 5.338 22.101 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 0.045 -9.500 -1.079 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 2.908 -17.142 -7.231 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -0.696 1.929 -5.629 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 4.087 1.851 -1.965 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 21.090 -20.543 15.383 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -6.058 19.549 -12.278 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -1.400 4.168 4.982 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -8.498 3.431 1.634 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 1.215 -0.739 4.565 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 -3.137 -2.409 -6.402 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 -13.095 -12.908 3.491 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 -1.481 -8.841 -5.563 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 4.093 2.806 4.221 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 1.536 5.710 9.727 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 8.677 -0.248 14.989 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 1.653 4.793 -7.498 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 -4.358 5.036 -7.324 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 6.739 2.343 -7.280 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 2.634 2.255 -1.983 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 1.715 -4.310 -4.650 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -3.510 9.307 -17.904 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 -1.311 0.992 -5.371 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 -11.191 0.880 13.873 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 -6.944 5.969 -5.904 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -2.345 4.054 -1.914 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 4.316 16.709 13.942 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 -2.980 16.661 5.726 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 2.917 -1.635 8.169 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 -2.918 -2.917 -27.801 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -0.670 31.696 20.055 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 5.704 -0.511 3.232 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 3.405 2.857 -3.203 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 10.695 -6.122 7.737 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 0.334 0.007 -3.679 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -2.989 0.824 -5.715 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 -15.550 -10.733 -1.382 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 -1.685 -1.750 2.767 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 26.842 10.743 -2.679 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -8.367 -4.772 12.843 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -1.913 5.412 -0.065 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -3.315 -2.408 -10.705 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 -1.535 -7.000 -6.206 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 0.261 -2.273 -5.513 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -0.390 1.683 8.019 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 10.330 -6.206 -28.601 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -0.704 -1.848 -11.671 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 6.858 19.483 -19.039 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 22.016 -19.687 -8.000 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -3.142 11.282 -1.195 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 -7.676 2.090 8.908 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 9.494 3.054 3.911 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 -5.681 0.658 6.056 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 7.588 -10.763 -19.312 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -4.281 -0.571 3.668 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -4.995 -7.101 -0.049 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 -9.199 7.803 -17.511 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 14.248 -18.274 -6.218 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -3.096 -4.625 1.115 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 17.574 8.554 7.447 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 -6.201 -5.840 -14.765 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 2.034 1.191 -0.390 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 -5.241 4.574 -3.553 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 16.268 -17.873 -20.935 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 2.621 3.022 2.091 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 2.690 14.953 -5.415 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -0.639 -5.763 -0.722 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -1.865 4.405 3.132 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 17.557 -8.263 -7.311 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 -14.195 -13.649 14.813 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -0.690 1.254 -3.507 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 -18.796 -12.928 -8.798 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 -0.608 1.674 18.746 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 1.936 4.227 -0.689 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -11.990 -7.299 30.233 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -2.325 -3.279 13.533 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 -0.647 -1.770 3.780 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 -14.959 -5.191 -0.449 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 -10.575 0.585 6.221 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 -3.848 4.543 -2.066 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -6.979 -2.343 -23.152 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 0.474 9.620 18.412 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 0.337 0.977 -0.437 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 2.430 15.785 -8.853 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 17.120 9.933 -29.656 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 1.022 -2.161 2.598 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 4.856 -8.054 6.354 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 6.423 5.653 -1.772 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 -3.778 -5.065 2.265 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -3.558 0.162 9.328 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 -7.734 17.884 16.007 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 2.464 -2.731 0.638 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 -2.448 11.005 -7.883 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 4.627 -15.061 30.733 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 2.233 5.773 4.276 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 7.091 5.982 -8.405 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 0.292 13.248 -2.241 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 0.834 -2.055 2.965 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 7.936 4.139 14.355 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -0.586 -2.127 -1.576 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 7.642 9.023 0.233 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 7.138 -12.395 -25.930 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 2.663 -3.866 -19.704 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 3.779 -0.388 -4.285 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 9.165 -1.415 -8.275 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 0.170 -4.865 -6.175 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 2.067 -1.994 -2.395 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 3.243 -0.963 -1.748 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -16.611 3.152 14.122 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 -1.673 0.793 5.332 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -2.405 -5.071 12.869 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 -7.878 3.684 6.813 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 4.363 4.346 0.086 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -11.943 7.187 10.088 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -1.416 -0.439 6.460 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 7.353 2.901 3.962 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -5.737 7.466 -1.143 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 1.446 -16.097 10.821 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -2.698 -4.443 5.558 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 4.193 4.188 -4.676 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 -4.864 -19.638 9.634 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -2.789 0.403 -0.560 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -2.636 -7.324 1.275 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 3.300 4.086 5.801 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 -7.820 0.213 -0.590 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 1.966 -10.812 3.700 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -0.614 6.833 -9.407 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 4.291 3.151 -0.439 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -11.841 -15.233 5.166 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 24.682 -1.392 23.829 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -6.867 -1.905 3.034 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 3.887 11.021 -2.012 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 -2.768 -16.226 -3.215 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 -2.865 -1.873 -1.539 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 20.926 -9.949 1.989 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 -5.153 -1.150 -2.205 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 2.041 5.252 0.010 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 -17.765 -10.343 0.485 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 0.697 15.943 -1.175 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 0.142 -0.924 -8.860 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -17.950 2.360 11.136 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 7.651 11.648 4.016 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 -0.373 -1.004 -3.475 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -12.048 13.692 -5.480 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -1.061 -9.293 -8.388 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 -8.984 -4.699 -0.174 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -9.932 -6.560 19.718 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -4.177 -7.062 -0.822 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 -3.413 -1.660 0.339 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -3.734 8.127 -42.876 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 -6.949 -4.980 12.874 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 1.821 -7.154 4.128 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 2.097 -8.550 1.868 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 0.437 -5.861 2.842 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -8.408 -0.803 -8.345 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 22.237 -25.808 -16.339 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 5.678 -28.506 6.534 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 -1.197 0.953 0.674 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 -10.452 -5.717 -10.130 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 16.284 6.694 10.492 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -1.719 1.666 -0.605 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 -7.825 8.313 4.213 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -10.610 6.133 -13.966 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 -1.313 -3.833 2.043 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -21.626 -16.068 -4.130 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 1.278 -0.170 -14.407 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 3.699 7.302 -6.444 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 -11.208 10.509 -11.794 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 4.476 7.301 -1.716 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 3.415 -2.037 -4.839 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 -18.577 23.214 8.488 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 11.384 -12.023 -6.881 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -0.452 -1.559 4.366 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -11.405 -11.966 -14.534 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 18.611 0.017 -0.815 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -2.291 0.263 -2.383 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 -8.112 -17.400 -10.071 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 -29.923 15.849 17.232 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 0.324 -6.384 0.347 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 -6.789 10.169 3.498 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -1.909 0.521 -0.310 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 -2.682 -9.742 4.787 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 -2.628 -8.439 4.504 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 -3.680 -14.377 7.036 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 0.106 -0.787 2.859 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 0.246 -15.227 19.169 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 1.331 -25.314 10.420 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 3.692 -4.373 -7.482 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -9.775 -19.104 -18.253 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 6.480 -3.687 -11.757 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -3.779 4.251 3.590 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 -7.008 1.088 16.965 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 10.880 -1.343 1.145 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -6.170 -8.489 -1.265 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 9.155 15.380 -4.526 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -0.099 7.359 1.816 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 5.942 -4.037 -4.971 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 -45.381 -9.690 -4.692 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 -20.938 -7.895 -4.425 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 -2.013 -1.507 5.377 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -5.176 -10.854 -3.187 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 -0.509 -4.752 1.876 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 3.776 0.632 -1.746 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 6.500 2.285 -2.189 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 -2.867 0.186 -5.561 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 1.399 -1.530 1.559 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 6.440 -2.162 -1.684 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 -0.473 -7.808 2.202 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 2.221 2.226 -0.913 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 6.244 -4.934 -6.174 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 3.594 -5.872 -6.435 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -5.114 4.059 1.730 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -3.027 5.403 -33.065 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -14.013 33.376 5.915 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -2.173 3.277 9.458 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 -6.239 14.093 2.097 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -5.020 0.749 7.981 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 1.331 -0.051 -2.901 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 -10.764 -8.342 -10.675 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 -9.828 -1.278 -11.063 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 -3.547 -7.050 -0.937 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 1.927 -7.065 12.873 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 -2.032 11.188 29.372 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -0.582 3.806 4.435 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 3.632 3.502 6.120 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -8.921 4.603 0.517 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 2.541 7.632 -2.913 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 -37.402 -22.350 4.698 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 1.194 9.154 2.845 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -6.757 -0.490 -5.666 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 -13.699 11.797 18.105 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 -2.867 -5.552 -12.834 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 0.855 2.531 -2.362 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 -5.936 7.381 0.894 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 -6.086 -3.095 0.608 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 -2.399 -1.669 -1.320 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -5.637 2.256 -27.307 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 4.240 -17.501 0.045 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -0.471 -0.109 -1.883 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 3.203 5.975 -2.706 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 -5.907 -3.552 -6.595 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -0.855 -0.899 0.201 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 29.304 10.234 -19.957 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 11.051 9.331 24.080 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -0.180 -0.117 2.010 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -5.845 5.552 -7.831 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 -5.175 4.511 -5.184 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 -0.239 0.484 2.854 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -9.164 4.381 -10.376 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 -6.933 4.923 -5.546 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 1.058 2.272 -3.339 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 10.069 -5.496 -2.467 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 0.750 8.331 -1.438 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -3.998 2.643 6.507 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -11.544 17.521 -22.623 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -4.616 3.751 5.305 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 1.985 -0.869 -4.870 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -9.908 -5.191 -1.727 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 8.070 2.068 10.385 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 3.803 -0.426 -2.222 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -15.649 5.798 1.545 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 8.771 13.820 5.648 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 0.831 -5.100 -0.016 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -10.556 -7.446 1.468 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 12.016 -4.679 -4.025 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 2.233 0.291 2.138 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 -5.146 -4.207 16.152 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 16.785 -2.142 5.618 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 -9.261 -3.303 -2.431 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -10.439 7.965 -9.100 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 -11.033 -17.974 1.778 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 -2.979 -4.796 11.279 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -29.022 -5.628 -28.817 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 3.218 -11.278 12.128 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 -4.046 4.860 5.475 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -5.779 -18.078 -8.697 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 -4.874 -0.233 -4.775 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 -1.736 1.502 0.743 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 -20.031 6.046 8.985 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 13.656 5.220 15.157 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 5.970 1.302 2.170 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -1.233 -12.905 9.590 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 2.614 -1.512 17.377 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 10.138 3.382 1.058 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -3.056 -15.605 20.793 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -2.639 5.669 -3.187 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -2.420 -4.952 1.446 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 -21.644 -2.920 -13.807 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 -14.159 -5.992 4.973 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 0.380 -1.945 -3.098 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -9.352 8.666 -2.474 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 4.386 -6.134 -3.010 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 1.994 4.192 1.543 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -23.703 5.853 0.359 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 -0.478 -24.353 19.517 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 -0.234 -5.134 -4.607 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 6.019 -2.489 12.615 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 5.733 24.632 9.837 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 2.681 3.000 -2.803 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 9.572 14.093 7.663 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 5.901 11.710 -8.269 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -2.099 10.558 -0.537 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 -5.808 -4.739 -9.904 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 -1.733 -3.238 0.500 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 -1.139 2.609 0.686 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 5.133 10.647 -0.097 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -6.860 0.929 2.147 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 -0.084 -1.862 -3.671 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 5.758 -5.646 -3.590 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 -3.435 -4.275 -8.551 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 7.229 3.159 2.094 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 9.108 -3.009 11.907 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 -3.634 14.140 10.487 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 3.335 -9.151 5.217 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -10.223 1.706 -10.356 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 15.045 5.969 10.348 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 1.157 -1.232 -1.345 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 11.651 8.296 -10.541 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 9.530 9.779 -0.980 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 3.036 11.629 -0.770 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 3.683 12.263 0.728 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -2.415 9.716 23.391 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 4.048 5.257 -5.177 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 11.021 14.346 -13.288 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 4.926 6.608 -4.328 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -4.044 2.092 5.578 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -5.617 -25.355 29.338 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 -2.071 8.595 -9.964 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 -2.426 8.352 0.714 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 7.203 5.460 26.196 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 5.369 1.983 3.020 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 1.503 -1.668 7.116 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 2.785 5.253 2.039 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -4.313 8.000 4.879 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 0.004 -2.253 -1.946 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 20.590 -20.372 14.856 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 -23.653 24.348 -9.946 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 4.213 2.684 -4.161 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 8.029 19.078 -12.492 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 2.810 -4.442 -0.262 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 1.014 -0.750 1.059 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 0.257 2.056 8.980 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 6.572 1.178 -1.023 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 -2.787 5.420 5.807 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 -1.210 -5.332 21.732 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 -15.485 -12.271 -6.887 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -0.716 -5.728 -6.510 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 11.264 -4.384 -4.265 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 3.052 -2.319 -9.775 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 -2.031 2.661 4.521 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 18.882 -3.531 10.782 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 7.789 7.702 5.937 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 -0.744 3.233 -3.344 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -1.237 3.800 -18.349 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -5.277 -13.046 9.776 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 0.392 3.024 -2.321 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 -3.523 -16.807 7.691 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 -8.430 -6.326 10.418 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 6.807 5.576 -3.817 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 -9.779 -8.645 20.139 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 6.096 5.339 -1.689 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -0.833 2.402 2.568 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 -2.777 -9.521 2.971 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -4.130 6.944 -4.211 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 -1.022 -3.845 1.788 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 17.478 14.041 5.421 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -11.768 -2.419 -18.047 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 5.611 0.838 5.807 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 11.294 -14.020 -19.078 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -25.329 -14.954 1.613 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 1.511 5.889 0.446 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 -2.841 7.264 -19.660 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 15.025 0.356 3.425 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -2.448 -4.501 -0.030 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -3.637 -10.881 4.840 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 4.653 5.899 5.142 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 1.236 4.687 -4.963 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 7.389 11.499 -1.208 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 0.903 16.062 -12.223 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 4.718 1.224 1.800 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 42.669 -18.006 17.660 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 4.811 17.883 -35.423 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 3.766 -0.964 6.909 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 2.071 -6.867 8.363 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 9.457 9.309 0.657 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -1.127 3.647 9.795 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -7.018 -3.009 -1.368 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 11.871 9.112 2.302 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -2.005 -8.402 1.876 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -2.205 -6.468 24.114 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 4.098 14.319 -11.545 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -3.832 -1.425 -9.071 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 16.621 -22.607 0.509 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 14.458 21.445 -29.745 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 0.904 -3.277 -2.910 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 -7.590 24.439 -20.065 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 15.110 10.402 -18.110 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 3.703 1.386 1.299 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 18.629 20.327 -15.174 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -8.650 -19.255 18.636 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -3.686 1.365 -2.452 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 6.505 19.070 -4.969 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 7.924 -9.984 -2.865 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 1.190 3.418 0.878 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 5.541 32.097 -16.832 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 -18.772 -1.699 1.117 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 -1.999 -0.166 -10.090 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 14.428 -7.632 -9.136 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 -12.057 -16.373 -10.196 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 1.364 3.733 6.614 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 -11.970 -5.721 30.068 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 28.535 -7.370 1.982 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -3.194 -1.475 -0.690 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 -6.146 -12.735 -6.078 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 2.507 -3.663 7.057 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 -4.712 -1.246 -1.674 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 12.994 8.953 -3.527 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 -9.392 -8.280 -20.609 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 3.705 3.314 4.165 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -28.638 -3.332 2.981 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 2.339 15.373 23.257 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 -5.188 -3.106 -2.102 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 8.929 -1.304 -3.063 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 -18.932 5.579 -6.238 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 -1.781 -0.751 -0.644 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 9.330 -23.956 -7.308 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 -38.357 -19.729 2.800 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -0.619 -0.123 0.471 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 3.676 -6.258 -14.065 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 -0.215 13.638 -0.654 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 2.200 -3.042 1.801 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 -1.798 32.543 -14.583 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -12.652 -1.318 -1.252 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -0.247 -4.665 1.926 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 11.992 -6.907 3.523 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -18.898 1.795 -0.383 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -3.239 -7.169 5.562 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 -9.681 13.192 20.375 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 4.428 6.998 -6.890 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 -4.087 -0.339 7.004 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 6.624 -13.508 -4.836 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -9.334 -12.101 7.402 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -1.277 3.533 -3.306 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 -3.936 15.402 -17.576 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 11.785 -10.113 -7.366 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 -0.486 -0.291 -7.917 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -15.471 8.517 -11.052 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 -1.952 3.677 -7.588 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 3.978 2.779 5.469 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 -4.422 3.941 -3.495 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 11.525 6.184 -12.039 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -7.253 0.646 -6.939 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 1.286 -32.188 -7.147 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 34.708 6.359 -3.000 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 6.914 2.699 -3.504 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -1.555 -5.203 11.695 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 -0.885 -23.578 2.394 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -11.088 -3.662 -4.269 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 -1.848 10.493 -30.277 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 14.269 23.946 -7.876 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 5.769 3.846 -2.421 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -13.253 -12.117 -14.070 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 11.227 6.416 -5.664 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -2.145 -2.922 0.265 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 1.890 -24.629 14.733 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 3.771 -10.960 8.781 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 -0.959 1.122 -2.825 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -4.194 10.657 13.937 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 -8.194 -11.123 -4.317 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -1.600 -3.983 8.416 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 3.521 -0.096 -13.933 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -13.788 -19.639 -3.411 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 0.990 -3.799 -0.607 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -5.705 3.278 -5.939 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 4.299 0.853 8.875 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -1.033 3.849 -5.953 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 -1.043 0.698 -11.890 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 -8.185 6.812 -5.019 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 -5.872 1.923 -1.346 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -8.341 13.575 -3.714 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 -13.523 -4.400 -7.815 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 1.871 -1.455 -0.527 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 6.704 2.580 7.173 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -3.014 -14.432 6.232 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 -1.199 9.290 2.365 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 -3.127 2.014 25.635 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 -1.808 8.880 6.011 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 -6.597 -3.567 2.455 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 2.194 -28.325 11.288 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 9.472 -2.188 -2.190 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 3.007 2.225 -1.712 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -24.416 14.633 -19.622 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 11.864 11.728 18.991 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 -4.641 2.398 0.524 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 11.764 -5.726 -12.506 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -4.767 -6.047 -4.707 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 2.134 5.666 -2.047 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -10.958 11.185 -16.882 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -1.961 -14.258 1.010 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 -0.117 -6.123 1.833 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 9.837 14.557 6.241 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 8.214 3.475 3.427 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 5.753 3.202 0.802 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 -21.636 -7.996 -13.799 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 30.983 12.705 10.317 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 0.370 -1.913 0.950 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -0.595 -7.799 4.707 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 5.887 -17.342 12.785 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 -3.706 -2.837 3.199 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -8.161 10.878 1.841 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 3.811 -16.374 7.664 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 1.611 7.452 -8.735 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -10.687 -9.916 -3.219 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 9.150 18.412 -11.283 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 -4.086 -1.410 -3.411 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 1.465 33.093 20.632 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 -20.938 -15.788 12.376 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 -2.006 -5.802 -2.551 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 0.936 -4.097 -3.576 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 8.004 -0.403 -4.410 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -2.483 -3.979 4.507 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 -8.026 -19.233 0.290 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 -2.264 3.207 5.409 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 4.589 -6.285 4.024 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 -0.737 -18.082 12.303 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 1.132 -13.032 -8.764 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 6.209 -3.739 -5.705 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 11.511 -27.118 3.309 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 0.121 16.088 -0.155 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -6.870 9.368 3.465 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 -3.268 -4.675 3.236 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -18.272 2.656 -9.729 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -3.006 -1.255 -3.042 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 8.935 -0.607 -6.333 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -4.351 -11.445 0.353 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 -2.077 2.171 -4.403 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -9.622 -4.694 23.364 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 12.839 -3.049 40.630 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 -2.121 -3.378 -3.938 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -7.351 -0.002 -6.470 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 0.023 -4.452 -4.567 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 0.219 -4.222 -3.139 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 24.295 -12.817 -13.522 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 -0.479 19.022 -3.438 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 1.193 1.578 -1.833 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -4.681 5.589 -3.078 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 0.978 6.907 -5.079 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -4.962 -2.145 1.881 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 -24.303 26.070 10.158 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 2.216 0.405 -16.221 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 4.060 -5.713 7.785 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 1.946 1.681 5.701 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -18.973 31.909 6.692 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 1.299 2.305 2.891 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 -12.609 -16.935 -6.045 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -4.066 -5.935 -11.901 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 1.433 -2.417 -2.638 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 15.259 26.274 22.612 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 6.659 7.419 2.834 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 0.886 -6.345 2.800 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -2.549 -5.107 -6.989 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 18.990 4.802 6.511 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 0.026 -0.891 -3.095 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 12.724 -12.230 -3.562 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -7.732 0.909 -14.329 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 0.072 -0.997 -4.376 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 -4.917 2.373 -7.215 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -5.622 11.503 -14.081 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 -0.410 -1.544 0.068 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -2.280 22.302 -5.468 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 -5.311 -2.010 3.698 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -0.960 -1.088 -3.728 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 0.611 2.394 2.021 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -7.637 1.275 1.022 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 1.984 -2.640 -3.310 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -2.586 5.682 -6.839 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 11.481 -3.144 -8.742 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 0.042 0.665 2.471 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 7.614 13.627 6.860 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 23.605 21.905 8.619 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 -2.771 1.302 2.520 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -9.312 9.918 2.343 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 -15.099 -17.109 11.122 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -3.258 7.557 -6.499 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 1.038 5.977 3.400 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 2.940 2.379 1.920 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 5.253 -18.095 -3.215 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 14.989 3.011 8.221 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 6.614 -8.081 20.961 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 -2.263 4.726 -1.441 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 -23.484 -1.496 12.481 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 7.604 2.715 -2.620 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 2.092 -1.482 -2.866 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 13.443 7.445 12.050 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 -15.548 5.462 -8.527 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 -1.420 -1.764 0.885 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 0.277 1.502 2.857 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 11.986 -21.899 -13.578 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -8.552 0.560 -0.544 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 1.232 -14.617 2.162 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 -11.057 11.925 -6.072 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 1.557 -1.149 -5.461 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 28.604 -32.932 2.197 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 -37.302 -17.177 3.343 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -1.505 -3.757 -0.583 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 -6.323 -8.932 -29.185 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -3.363 -4.748 8.266 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 2.549 -2.406 -5.298 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -5.306 -12.018 17.931 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 3.660 -1.765 -17.583 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 2.786 -0.053 6.280 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -6.553 3.852 15.047 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 -11.360 3.154 13.412 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 3.248 -8.995 -1.396 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 6.532 9.259 5.105 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 22.355 -16.632 -8.603 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 3.388 4.501 -0.054 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 4.254 3.991 4.174 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 17.515 8.267 3.484 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -1.977 -2.313 1.231 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -1.751 -0.175 2.356 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 2.371 -5.257 6.048 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 0.606 4.162 2.120 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -4.225 -6.998 5.835 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 1.252 -3.934 5.782 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 0.340 -6.286 -2.366 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -15.294 -11.987 7.692 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 5.807 16.574 1.038 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 -1.978 -4.011 0.989 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 0.897 5.614 4.232 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -15.326 -6.998 7.806 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 2.811 -3.340 -2.159 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 15.781 16.452 11.004 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 4.898 -24.089 -10.813 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 -1.685 -0.598 -0.262 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 -14.925 -10.040 -10.736 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 4.025 6.162 12.658 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 -1.248 -2.528 -5.516 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 -11.023 -6.991 -0.825 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 -7.690 -0.905 9.419 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 2.328 2.085 -2.613 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -1.048 5.405 1.892 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 10.382 4.142 -5.620 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 4.224 3.444 -2.476 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 -12.914 -2.843 -13.713 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -0.229 21.558 12.749 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -2.836 -1.239 -4.636 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 -2.765 13.616 11.911 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 -6.616 4.344 6.278 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 1.078 2.690 2.688 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 10.471 21.901 -12.528 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -5.650 -3.945 19.956 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -0.842 3.997 5.194 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 2.637 -2.548 6.537 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 -9.003 21.105 2.065 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -0.898 -3.927 -1.077 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 -8.498 -18.142 3.011 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -18.246 13.332 2.234 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 2.128 1.733 7.156 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -8.029 22.071 -9.779 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 8.946 -10.582 13.684 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -5.326 2.543 9.313 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 6.375 -10.969 -6.055 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 -3.781 7.345 -4.695 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 4.995 -3.366 1.076 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 5.769 -9.536 -10.818 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 -2.074 16.393 13.607 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -3.720 1.719 -2.702 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 3.146 -8.162 -0.467 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 9.541 12.588 25.483 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 1.525 2.476 0.491 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -0.258 -4.432 -4.323 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 -1.974 3.791 0.752 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 1.875 2.908 -3.736 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 -6.661 -21.095 7.310 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 9.617 -6.198 -13.595 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 3.778 -3.170 2.391 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 2.611 -14.005 -16.671 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 10.617 -12.994 -12.104 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 4.350 -3.764 -2.400 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -4.467 7.073 -2.767 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -8.366 -9.029 3.381 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 0.179 -2.256 2.509 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 -9.649 10.519 8.391 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 -13.898 3.218 6.033 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 5.515 -3.234 -3.606 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -8.077 7.068 -8.738 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 -5.814 -5.387 -18.763 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 -0.200 3.913 -2.202 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 -9.965 9.159 4.029 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 4.806 14.601 -2.779 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 -4.087 1.176 -1.690 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 -11.871 0.738 -6.957 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -6.720 1.199 -4.149 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 7.923 -2.573 -3.435 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 -10.132 9.986 -7.090 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 -1.914 11.877 13.771 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 2.804 1.837 -5.667 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 -20.797 -24.176 1.741 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -3.456 31.416 -28.448 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 2.608 1.118 4.033 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 -5.058 4.016 19.899 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 -16.498 3.610 0.679 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 -3.458 4.873 9.529 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 -6.555 1.428 11.311 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 -3.381 4.542 5.168 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 -6.429 0.946 0.313 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 -1.934 -0.460 -2.723 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -10.353 -0.922 -3.671 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 -2.967 -4.269 2.139 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 -3.104 -20.716 6.228 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 21.451 25.597 10.507 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 -4.368 1.336 4.152 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 -1.551 -4.152 8.865 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 3.552 -13.833 16.241 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -0.392 0.327 1.177 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 1.073 -1.856 8.363 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -0.347 0.461 -25.506 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 -2.106 -0.013 -0.090 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 4.385 -9.743 -10.487 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 -0.594 -11.872 11.764 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 1.150 5.945 1.945 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 -2.469 20.360 -12.082 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -4.754 8.155 8.342 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -5.204 -2.254 -2.846 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -14.562 0.888 13.313 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 -6.878 -17.783 -12.599 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -4.579 2.538 6.776 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 -17.219 2.461 24.996 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 6.420 -26.874 -5.255 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -1.218 -3.830 5.293 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 3.738 -16.139 -3.590 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 6.486 15.890 5.577 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 4.921 -4.751 3.267 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -13.017 -3.702 2.963 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -11.704 -3.823 2.503 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -1.089 -5.655 1.233 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -8.821 0.470 4.921 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -6.599 0.645 10.806 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 -1.353 2.239 -2.775 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -11.684 3.663 5.602 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 4.265 -8.398 -9.219 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 1.194 -3.358 3.344 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 6.746 0.500 9.170 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -14.517 -5.174 -10.957 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 5.409 4.403 -3.944 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 17.729 -5.732 -21.346 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 12.037 -9.299 -5.474 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 -6.756 2.616 1.227 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 -11.281 -0.091 6.971 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 -6.336 -2.257 12.944 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 6.482 0.893 1.132 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 1.555 13.693 24.106 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 -17.417 -8.616 -6.395 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 -3.579 -6.620 -0.205 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 -7.534 11.817 -0.331 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 3.330 -4.095 4.415 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -1.186 -3.486 1.570 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 18.176 -6.144 18.432 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 5.033 -9.274 22.566 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 5.670 0.754 1.505 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 14.045 -6.217 9.353 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 0.095 5.278 3.940 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 1.175 3.832 -2.071 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -17.672 -31.151 -10.535 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 4.539 -24.169 -0.932 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 -1.507 1.774 -1.273 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 -0.294 32.693 4.290 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 6.359 23.101 6.516 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 -1.778 4.380 0.020 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 0.217 33.924 8.680 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 -11.050 29.269 17.951 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -6.364 3.427 0.221 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -6.547 2.671 -2.905 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -9.849 0.197 -2.916 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -5.125 2.365 -0.443 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -7.254 4.326 2.772 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 7.476 -10.620 -19.420 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 -0.247 -2.820 -3.102 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 8.827 26.065 -19.898 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -22.998 -5.458 -11.746 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 -3.181 -4.663 0.118 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 -9.891 -15.161 -7.436 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 -2.383 -1.921 4.318 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 -2.266 5.975 -1.837 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 -4.889 -18.188 15.137 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 6.237 13.227 -13.005 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 4.306 8.868 -0.903 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -5.418 9.666 11.037 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 -2.275 1.493 -12.122 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 0.515 1.288 1.188 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 -21.006 -0.739 -17.675 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -6.908 4.412 -1.696 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -0.606 -4.978 9.249 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 12.433 -0.375 -4.293 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 3.605 -3.454 4.394 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 4.661 1.784 -5.196 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -8.214 41.361 -4.365 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 0.285 -3.644 21.321 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 0.705 -3.823 -0.210 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 -1.452 13.872 2.353 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 -13.517 6.686 8.819 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 6.761 3.741 -2.868 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -2.048 -6.910 -13.526 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 12.816 11.800 -19.539 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 5.316 -8.714 0.430 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 6.741 -6.911 -1.831 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -2.100 -32.838 11.144 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 2.174 4.958 0.839 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -7.463 8.002 -0.258 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -30.915 5.785 -10.560 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -1.932 -0.101 -4.231 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 6.866 12.346 -23.475 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -8.143 -5.373 -5.635 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 0.988 0.219 -7.213 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 20.719 4.511 5.493 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -14.195 20.552 -7.791 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 2.693 0.500 -7.886 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 9.063 18.677 -13.070 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 -19.828 -8.341 -30.725 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -3.294 -2.160 7.313 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -8.106 -0.963 5.168 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -15.079 4.483 19.142 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 2.344 -0.890 -1.424 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -2.120 -29.745 3.117 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -32.219 5.785 14.183 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 1.355 3.835 2.874 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 3.028 13.249 -4.758 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 13.297 18.515 -6.326 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 0.869 -0.880 5.902 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -0.541 -1.246 8.830 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 -12.906 -22.500 2.455 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 1.723 -1.377 1.817 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -0.851 7.421 12.879 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 2.209 -0.815 10.866 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -5.108 -1.531 -3.772 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 2.608 -26.711 10.801 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 -2.813 5.334 -13.895 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -2.003 1.010 3.882 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -6.061 19.812 -7.687 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 20.129 -6.715 -5.198 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 -2.466 3.164 4.341 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 37.756 6.812 -10.514 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -8.085 -31.032 -2.877 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 -1.651 4.400 4.073 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 1.811 -0.445 8.893 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 -15.228 -12.862 14.512 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 -0.137 -5.679 5.440 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 -15.261 -20.505 11.335 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 27.499 -13.382 -1.194 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 3.300 -4.245 0.534 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 19.793 -7.593 -8.107 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 3.768 -4.796 17.121 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -2.410 1.893 3.061 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 11.488 29.526 1.557 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 -11.915 -0.434 24.506 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 0.462 -3.735 1.948 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 1.762 6.602 4.583 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 14.584 13.150 -7.724 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 -1.983 2.444 -2.271 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 6.313 -6.043 22.417 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 16.914 2.486 17.865 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -2.198 7.195 -0.111 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -16.892 -8.776 9.503 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 9.303 -31.487 -10.288 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 -5.256 -1.633 -2.801 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 -5.456 -0.943 -1.632 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -4.006 -5.041 -7.174 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 0.109 -2.201 -0.988 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 14.035 -10.296 14.068 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 8.113 -6.795 8.772 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 -3.326 -0.008 -1.576 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 21.573 3.814 3.990 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 17.452 22.083 6.793 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -0.149 6.512 -2.714 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 -34.519 7.823 3.631 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 -0.464 -7.892 7.363 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 3.469 1.288 -0.219 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -7.523 7.252 7.261 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 3.627 1.802 -8.978 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 0.637 -0.491 -9.123 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 22.147 3.260 -1.908 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 -10.038 6.438 13.327 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 -1.458 -0.592 0.586 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 -12.280 -3.016 5.795 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 -24.942 -3.448 8.426 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -6.818 0.433 4.221 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 5.833 2.872 -4.854 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -0.089 8.065 3.706 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 1.789 7.023 2.577 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 -21.016 -13.460 17.689 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 -3.224 9.853 -30.528 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 0.114 -3.206 6.941 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 8.225 -7.829 31.944 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 -5.613 -2.914 -17.487 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 7.498 -0.764 2.900 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 13.416 -16.518 -0.798 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 9.951 -2.656 18.880 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 -0.859 -5.553 -1.854 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -13.065 -6.375 -0.119 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -7.131 -3.960 0.302 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 -2.132 -2.180 1.752 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 -7.945 -2.116 -0.954 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 8.584 0.606 3.252 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 4.220 -6.159 0.982 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 12.483 -1.405 -7.626 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -11.634 -8.370 -5.223 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -4.140 -4.358 -2.870 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 -8.914 -1.668 8.604 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -7.379 -2.483 -5.579 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -2.952 -2.160 2.962 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -3.567 -7.350 14.287 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 -4.329 9.743 -1.349 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 -9.387 1.273 0.877 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 -16.629 11.582 3.067 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 0.347 -13.081 22.271 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 0.429 -5.293 1.378 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 13.990 4.854 16.320 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -2.043 -4.466 0.100 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 -1.356 2.200 1.927 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 2.689 7.540 7.951 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 -0.762 1.094 -2.204 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -6.654 1.247 3.217 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 7.297 -7.217 -9.333 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -24.367 11.855 -0.376 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 -5.032 1.558 -3.168 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -3.997 5.593 -1.341 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 -5.548 9.402 -0.994 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 -2.525 1.941 1.859 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 6.573 -1.840 -9.556 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 -8.900 -15.365 -2.892 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 6.174 0.765 0.185 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 13.293 -4.552 -0.506 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 7.232 -2.358 -4.053 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 2.980 8.926 3.979 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 4.364 8.943 8.081 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 6.857 -15.843 5.275 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 5.750 2.864 1.589 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 6.014 -0.449 10.267 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 16.754 28.173 -2.406 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 5.534 -3.918 8.877 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 -13.768 19.647 11.948 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 0.271 -9.718 11.385 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 1.011 -1.736 3.362 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -7.983 2.521 17.827 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 12.891 -3.342 -3.876 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 3.065 -4.417 -4.085 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 -6.456 1.405 1.672 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 3.818 6.318 -14.576 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -1.524 -0.870 3.480 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -4.129 17.109 6.683 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 -6.929 -3.155 -3.189 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 8.257 -0.896 5.230 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 16.887 -11.197 9.226 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -10.181 -1.940 14.958 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 -0.787 1.233 4.028 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 6.890 -3.624 -17.243 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 -6.211 7.032 18.276 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 3.854 5.717 3.674 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 0.973 5.038 -3.859 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -2.268 7.428 -16.689 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 2.917 -7.674 1.237 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 0.286 4.186 0.702 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 -24.047 53.790 -4.391 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 2.750 -0.088 -2.443 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -10.359 10.903 4.705 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 0.507 1.853 -5.428 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 0.166 0.357 3.745 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -10.895 20.835 5.766 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -4.133 3.181 6.326 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 -0.271 -3.342 -0.542 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 -9.768 -5.150 5.937 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 0.457 -7.551 -7.217 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 3.645 2.315 -1.114 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 1.619 -8.655 -5.088 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 9.364 -1.976 13.802 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -1.943 4.863 -3.114 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -5.296 6.090 -4.863 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 1.539 4.371 -6.023 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 4.213 -11.504 5.617 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 19.131 -39.041 -3.592 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -2.671 -0.793 14.924 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -6.082 -0.952 -1.606 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 -20.885 -15.150 2.383 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 23.951 13.524 8.045 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 -7.997 0.298 -3.634 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -12.152 4.969 18.344 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 2.018 -16.417 -1.538 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 3.877 0.742 -0.549 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 -3.786 -4.331 -11.106 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 -2.161 -4.334 10.837 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -0.332 0.160 1.463 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 7.183 7.071 -0.770 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 5.345 6.515 0.194 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 2.820 -0.905 -8.787 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 -1.027 25.900 -9.098 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 5.512 24.795 13.598 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -3.653 2.199 2.285 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 6.188 29.069 24.414 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 -32.746 6.804 -14.145 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -4.084 3.203 -1.895 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -2.710 1.520 -8.006 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 3.227 -5.035 -10.392 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -2.868 4.164 -6.268 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 -1.478 29.791 -22.122 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 4.910 13.271 3.562 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -7.600 -11.810 7.867 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -13.308 -9.758 12.937 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 11.091 -11.752 -18.997 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 0.916 -3.878 7.997 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -5.284 -2.938 3.166 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 -10.862 -5.952 -7.832 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 0.259 0.186 2.534 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 9.927 -1.697 -0.962 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 2.151 -0.164 10.709 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 0.490 -7.823 -2.276 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 3.988 -0.053 -4.660 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 8.910 18.643 -8.688 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 3.048 -0.381 2.550 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -32.758 10.346 -9.811 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 1.263 -4.587 0.986 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 2.429 2.438 4.195 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 5.746 -3.032 -9.199 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -8.814 8.539 -26.694 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 1.644 -0.882 5.372 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 17.572 2.760 13.868 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 1.841 -10.898 16.246 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -2.352 4.594 1.775 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 9.208 8.898 1.237 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 -2.161 -1.626 -27.058 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 6.109 -5.097 3.186 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 -1.204 2.798 -15.915 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 1.097 7.906 0.620 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 0.035 -3.467 1.150 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 3.654 13.596 14.335 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 15.442 -20.901 1.622 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -1.498 3.793 3.172 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 -7.449 -24.332 4.305 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 7.736 20.260 -34.309 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -11.423 -6.233 0.017 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -11.860 15.208 10.358 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 -10.671 -4.942 6.525 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 -4.196 -1.202 2.417 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 6.894 -2.820 9.723 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -4.120 -1.160 -7.244 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 9.194 3.378 -1.234 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 33.132 24.280 -6.643 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -7.416 2.685 -0.260 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -2.714 4.652 2.547 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 -12.045 6.465 3.705 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 -7.268 -2.638 -7.440 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -1.364 4.024 -2.368 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -8.140 14.845 -9.200 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 13.803 -12.858 -12.632 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 2.458 -7.687 1.677 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 11.820 -11.606 5.014 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 -12.259 -5.254 -2.570 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 -2.827 -3.688 -0.283 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -5.208 -3.331 -12.163 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 -5.132 0.676 -7.231 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -2.429 0.066 -4.852 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 12.197 -0.711 -13.104 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 -1.839 -3.267 -42.869 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -3.001 -3.349 4.846 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 12.821 7.461 -0.378 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -12.032 2.128 13.605 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -3.308 -4.776 1.958 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -0.929 19.214 3.105 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -3.817 -1.373 16.769 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 0.823 3.636 4.247 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 -11.171 8.190 -1.086 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 13.040 7.306 6.698 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -4.614 3.574 1.515 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 -2.805 -5.412 17.888 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 1.232 -27.866 15.290 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 4.285 1.845 -6.713 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 14.007 13.744 8.885 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 -15.184 -6.716 4.812 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 0.584 -1.715 3.965 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 4.042 1.264 -2.070 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 0.825 -8.153 2.150 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 8.143 0.611 5.262 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 14.397 3.487 7.243 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 7.533 0.729 -0.307 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -1.715 -0.977 -2.280 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 -8.163 0.377 -2.977 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 5.728 -0.697 -3.216 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -9.440 1.713 -3.282 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -2.013 -14.526 5.390 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 0.473 -11.769 -2.282 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -0.851 2.596 -4.669 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 1.706 22.439 -16.052 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 10.979 10.814 21.672 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -0.411 7.254 -5.244 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -15.297 -7.354 -8.628 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 17.417 22.573 -26.853 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 4.065 1.924 -5.520 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 0.029 7.300 -0.643 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 4.139 3.035 -14.973 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 3.460 -3.818 5.246 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 49.265 -28.301 -19.227 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 -2.922 -26.787 2.324 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 1.082 7.463 -3.336 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 9.443 15.503 -9.707 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -0.947 4.018 1.029 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 6.941 -0.717 -1.112 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 5.916 12.889 -5.261 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 8.401 -0.600 3.295 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 -5.798 -1.671 -6.211 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 -15.870 -3.879 -8.345 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 -1.416 -2.362 -2.890 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -4.531 -0.012 0.055 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 1.659 18.615 16.154 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -14.171 6.638 -15.093 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 2.450 1.615 -0.180 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 5.968 -17.587 -10.123 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 4.252 0.639 -0.768 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -2.980 -0.388 3.881 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 -1.268 12.527 3.760 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 6.417 -12.328 9.392 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 7.131 -1.744 1.548 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 21.393 -8.821 8.367 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 17.884 1.855 -9.872 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 -0.448 1.238 -5.596 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 -11.533 -10.575 11.402 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -7.337 -7.473 6.236 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 0.159 -2.949 6.194 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -3.129 -19.411 13.437 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 12.344 21.999 -9.945 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 -1.970 -0.764 5.358 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 -8.016 6.825 -0.076 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 -22.700 -14.731 26.984 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -3.000 -3.863 -8.771 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -10.516 5.639 -13.099 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 -16.458 14.900 -17.625 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 6.968 -1.152 0.200 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 5.386 3.463 11.635 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 1.257 -17.880 -22.759 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 5.885 -4.133 3.162 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 3.674 22.478 -6.113 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -17.512 -0.726 9.266 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -1.353 -9.535 2.613 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 6.485 -22.473 -6.698 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -15.902 -15.120 -8.354 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -0.400 1.475 4.813 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 -11.369 8.391 5.976 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 4.127 10.010 -10.029 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 1.754 3.935 -0.598 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -22.317 -17.507 28.187 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 -10.730 3.324 0.670 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 0.712 -5.408 4.469 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 2.770 -8.380 5.642 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 8.291 -36.595 -19.923 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 -0.090 -7.256 -5.698 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 -1.112 -5.860 -8.259 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 -2.525 -2.102 -2.189 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 -0.488 -1.087 -5.377 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 1.822 3.234 -3.554 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -0.182 -4.145 -0.880 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 -1.133 -0.243 2.484 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -3.159 16.155 2.723 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -17.251 16.333 -0.406 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -3.582 2.179 2.467 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -10.817 13.782 20.766 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -6.558 -1.314 5.475 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 6.848 -0.964 3.489 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 22.999 -4.871 5.025 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -23.339 6.278 -2.734 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -0.913 -1.032 0.119 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -14.955 -0.707 -27.315 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 0.927 -8.126 -8.583 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 1.003 -0.330 -2.921 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 2.222 -1.476 -2.734 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 2.976 -2.347 -2.785 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 5.508 4.445 -3.010 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 19.833 -5.307 20.307 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 19.456 12.276 -23.295 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 -1.125 -1.236 -1.563 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -2.619 -0.508 1.135 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 -1.260 1.527 -3.965 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 -7.945 -6.124 0.908 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 -13.541 22.329 -13.285 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 23.363 0.548 17.293 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 0.071 0.092 -1.740 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 0.630 -17.995 11.244 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 3.769 0.260 -3.868 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 -3.577 -3.238 -1.124 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 -2.976 -5.943 1.866 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 -3.726 0.264 1.693 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 3.772 6.341 2.311 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 8.894 14.994 17.715 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 13.706 12.076 10.973 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 6.435 -3.403 6.127 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -14.493 -4.195 22.649 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -11.815 4.571 25.347 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 3.450 -2.646 -3.493 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 13.276 -8.088 -12.086 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -3.440 4.762 -13.000 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 -0.065 3.514 -2.682 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 -17.425 0.075 -5.536 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 -4.031 7.117 12.640 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -0.375 4.752 1.482 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -18.367 -18.951 26.298 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 18.288 9.047 5.722 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 -2.765 2.400 3.129 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -0.165 -1.419 -18.132 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -24.693 3.118 5.558 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 3.422 4.027 -0.038 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 -4.121 8.478 0.333 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 -5.046 -3.050 7.602 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 -2.027 -3.891 -4.339 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 -10.648 -4.478 -7.281 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -1.360 -2.023 -7.923 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 -0.750 -4.554 3.412 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 4.322 5.584 -1.785 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -1.294 14.537 11.183 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 3.455 2.322 3.402 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 8.683 -9.799 8.315 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 -8.911 -5.446 -3.230 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 2.739 -8.075 -2.850 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 18.414 1.705 -5.780 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 2.946 -20.536 -8.264 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 1.049 -1.965 -1.209 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 -3.916 -22.270 -1.653 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 7.095 -4.224 -20.361 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -0.929 -1.586 -0.534 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 4.000 -10.946 11.189 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 0.194 0.892 -2.181 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 1.350 2.182 -1.510 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -2.551 -14.439 8.570 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 8.540 30.595 -9.005 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 0.383 -0.154 -1.507 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -10.324 -6.064 -4.006 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 -4.698 11.090 3.047 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -3.688 -2.508 3.141 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 -7.244 -7.418 -5.190 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -11.093 2.160 5.482 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 3.171 -5.226 0.331 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 -19.616 -8.020 7.960 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -4.326 -5.941 -3.204 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 0.543 -3.083 -2.270 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 10.741 -19.871 5.280 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -13.534 21.705 -14.684 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 -0.404 4.063 2.111 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 23.715 8.423 -5.324 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 -20.224 1.535 4.660 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 2.139 -1.195 4.559 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 6.459 -19.950 13.241 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 3.679 -5.459 4.581 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -3.872 -2.019 -0.268 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 -8.084 0.822 19.728 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -6.562 13.780 25.047 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 4.815 -2.427 -3.227 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -11.568 -11.238 21.449 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 12.746 -6.814 -3.186 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -5.779 0.296 1.009 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 5.134 17.519 -10.122 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -7.115 -0.582 5.839 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 -1.750 -2.948 2.400 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 -24.225 -0.495 6.284 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 5.761 -3.381 -4.494 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 0.901 -4.725 -5.734 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 -17.022 7.998 2.657 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 1.735 3.271 8.940 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 3.224 2.413 -4.708 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -14.328 -1.131 1.877 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 10.592 1.694 -16.079 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 1.301 0.509 1.597 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 15.487 -3.656 -5.581 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 6.753 -7.449 -4.151 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -3.953 -1.140 4.921 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 -3.219 -10.826 1.894 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 -14.238 -1.700 7.996 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -2.892 -3.310 -4.604 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 5.921 4.614 -0.366 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 -8.651 2.078 -12.093 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -2.387 -4.675 -0.776 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 7.095 -5.942 13.909 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 5.439 -11.548 -4.453 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 -3.052 -3.528 1.887 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 -8.795 7.755 21.992 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -7.990 10.385 -15.262 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 -5.667 -6.125 -6.976 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -8.332 -10.150 5.472 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 1.109 -11.791 -2.909 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 -1.299 -0.645 3.827 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 2.264 25.781 -1.512 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 2.178 8.147 -2.864 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -0.836 -0.822 -3.392 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 2.436 -2.001 0.613 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -4.459 25.683 3.371 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -1.068 0.947 0.215 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 -0.858 2.304 14.872 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -1.222 0.144 -5.730 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 2.471 3.897 -2.526 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -21.212 -9.857 14.398 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 -5.050 30.215 14.642 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 4.656 -1.531 -4.666 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -7.487 -2.873 -0.829 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -0.448 -7.594 -14.777 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 4.160 4.995 5.645 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 0.239 -5.964 -3.587 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 3.547 -1.269 -4.937 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 4.907 -1.492 -1.021 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 0.456 -18.719 -17.055 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 -1.041 2.553 -24.724 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 1.574 -3.853 3.279 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 2.550 -16.367 -13.922 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -29.809 -6.350 5.083 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 3.670 -6.763 2.594 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -8.068 -18.345 6.154 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 4.942 -21.872 8.219 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 6.160 1.716 3.091 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 5.211 3.715 3.300 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 8.265 -2.343 -0.905 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 -1.841 -0.420 2.447 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 2.106 -9.134 2.647 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 7.462 -1.255 -16.170 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 3.930 3.274 -1.100 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 4.653 18.494 1.464 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 23.535 -6.418 -15.672 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -1.837 -4.751 0.505 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 -1.420 -4.278 -13.194 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 6.924 -6.407 -18.599 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -1.530 -5.742 1.628 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 3.963 -4.890 -3.551 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 8.117 -4.180 -8.665 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 -0.986 -1.479 2.625 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 7.880 8.462 -16.955 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 -7.174 -8.308 17.098 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 0.882 0.644 -0.907 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 -26.317 1.431 4.430 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 14.191 8.898 2.647 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 -0.118 -2.040 3.727 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -6.577 -11.641 -7.550 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -10.272 1.623 -5.519 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -2.115 3.859 3.644 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -21.776 -0.492 3.231 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 14.042 12.257 4.485 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -4.898 -0.856 4.081 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 -27.521 2.976 21.823 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 5.345 -26.010 9.201 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 6.617 1.676 -1.850 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 -1.919 -3.303 17.284 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 -0.503 7.506 -5.157 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 1.588 2.103 -2.914 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 -11.098 -4.907 -9.634 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 13.826 -1.733 -5.045 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 4.263 0.168 -2.532 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 18.767 13.593 25.330 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -5.533 -9.803 -1.460 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -6.361 -1.421 3.600 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 -0.280 -7.637 -14.700 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 6.020 -12.259 1.789 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -2.903 7.237 4.260 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 7.944 10.482 -9.111 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 -15.290 5.651 -12.234 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 0.476 4.507 4.184 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 -5.311 1.018 5.954 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 15.586 2.928 -7.507 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 -2.004 6.879 -3.591 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -1.583 -13.984 6.304 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -7.284 -15.801 -22.986 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -5.294 1.108 1.198 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -8.171 -9.262 20.938 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -3.811 -5.000 19.173 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 0.182 6.883 2.800 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 9.467 18.777 -6.345 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -5.504 -14.888 0.256 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 0.435 -4.236 4.637 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 1.911 9.169 7.914 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -17.609 3.617 22.182 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -0.501 -1.436 1.885 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 0.499 -9.058 0.954 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 1.907 3.126 -4.779 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 4.255 -6.727 -4.421 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 2.566 2.121 2.072 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 7.928 -3.743 -0.484 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -7.486 3.994 -0.115 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 11.280 -5.639 -14.373 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 6.350 1.462 -30.412 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 1.608 -3.690 0.080 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 1.777 -3.465 -3.226 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -8.860 4.102 10.713 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -1.458 4.450 7.952 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -19.053 1.343 1.311 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -9.863 17.708 24.123 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 0.926 -4.503 3.457 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 6.278 13.077 14.472 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 -2.964 -12.766 -0.762 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 -4.571 0.666 3.166 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -0.779 -18.912 -19.536 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 -4.833 -16.032 -12.310 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 -1.051 2.645 3.467 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 1.461 2.547 -2.830 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 0.355 -38.153 4.485 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 1.339 -3.166 8.262 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 30.407 10.447 5.395 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 8.216 -22.268 21.910 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -3.210 1.124 -7.030 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 14.487 2.754 -0.626 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 18.380 0.708 3.607 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 1.388 -0.544 7.539 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -8.629 -5.916 -13.169 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 -4.170 6.350 -15.976 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 5.014 -1.494 2.100 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 -4.272 -3.375 3.372 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 8.083 -20.448 10.116 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 -3.615 4.439 3.551 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 -6.305 -27.011 -28.485 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -4.732 11.616 -17.471 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 2.714 -2.818 -0.338 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 9.748 4.307 18.023 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 -10.647 -9.403 2.104 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -0.103 6.659 -0.913 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -11.507 -16.033 1.240 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -14.035 -15.575 -1.345 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 6.059 1.920 -4.196 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 5.953 -15.824 -21.634 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -0.822 18.806 -11.954 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 2.570 4.695 -0.469 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 13.593 -8.952 -3.579 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 5.885 14.042 -7.491 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -1.634 7.225 -5.628 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 -22.448 3.182 -3.732 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 -11.885 -4.713 -11.004 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 5.068 3.751 -1.611 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 8.540 1.070 2.799 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 3.338 1.171 -2.651 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -1.237 8.537 -8.280 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 9.899 11.562 -12.002 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 6.211 7.802 -13.844 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 1.804 7.552 -4.894 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 7.141 -8.727 -20.087 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -29.955 -2.306 17.558 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 5.818 10.150 -3.898 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 -1.147 -3.380 -7.086 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 6.208 11.297 -2.921 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -4.994 -6.072 0.212 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -11.342 -3.433 1.216 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -19.244 -1.350 12.154 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 1.418 -0.108 -3.285 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 21.053 -19.824 -8.060 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 17.905 13.960 11.595 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 -4.001 -3.560 6.551 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -6.237 -3.399 7.219 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 15.415 8.870 5.333 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 0.282 -2.573 -4.725 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 12.773 0.603 -18.314 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 17.700 -4.274 3.749 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 4.247 4.771 1.639 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 6.544 17.973 15.077 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 9.525 -7.054 -11.632 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 -7.313 1.372 2.111 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -3.556 8.911 11.785 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 -8.377 2.567 -9.088 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 -1.798 1.475 1.795 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 -6.066 -3.503 -4.190 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 -2.158 8.002 2.855 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 2.933 1.676 -3.146 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 4.524 6.557 1.844 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 10.062 1.591 -5.908 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 8.958 -9.484 -1.522 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -9.376 -11.310 8.218 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 12.769 -9.852 -12.226 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 3.331 2.228 -2.798 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 -5.602 13.522 27.544 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 -2.559 -6.646 16.691 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 1.144 4.853 1.561 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 -1.025 10.231 1.676 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 7.160 -8.101 1.200 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 -2.882 -1.742 -5.033 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -4.420 0.904 -5.273 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 0.665 -0.910 -31.088 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -1.931 -2.899 -10.132 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -1.119 2.825 -9.430 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -15.800 6.390 0.331 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -4.048 -3.166 7.166 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 17.991 -28.124 0.501 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 -26.229 -16.013 -6.141 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -3.125 4.355 0.018 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 8.729 9.780 7.260 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 -7.596 -2.600 -0.280 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 6.861 3.941 -4.341 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -4.778 -25.519 23.527 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -1.585 -13.406 8.795 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 4.338 0.523 -1.654 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 8.419 2.405 0.438 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 15.756 -0.274 -13.147 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 5.370 -7.781 -1.538 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 8.954 10.782 13.101 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 -15.421 6.031 -7.629 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 -4.121 3.754 -1.205 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 7.802 -12.881 12.591 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 -27.967 -1.492 0.567 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 0.769 -4.292 -3.127 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -19.252 17.050 30.081 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 -15.653 -17.712 19.123 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 7.226 -2.598 5.611 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 11.755 1.464 -18.066 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -10.721 -1.229 13.440 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 1.456 -4.708 -4.309 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 3.520 -1.939 -9.531 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -5.527 -8.475 -6.240 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 5.804 2.735 -6.138 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 -1.144 8.490 -2.430 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 2.475 5.792 12.763 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 0.100 1.717 -2.234 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 -18.176 -0.994 6.176 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 -0.557 1.877 -3.512 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 2.244 -11.300 -7.259 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 20.436 -2.499 -3.462 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 -11.266 -2.472 7.358 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -8.791 2.005 1.714 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 6.936 3.374 -3.919 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 -16.939 3.651 -14.691 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 -1.873 -7.339 5.148 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 -6.330 -5.758 3.146 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 4.914 -3.618 1.724 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 -5.000 -1.279 -0.194 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 4.189 -8.130 1.190 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 26.882 5.644 -14.813 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 -9.503 -4.047 1.222 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -7.638 -11.782 -22.641 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 6.239 -16.237 2.365 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 0.708 -5.937 -5.446 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 0.786 -0.969 -5.127 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 3.629 -12.858 -18.411 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 2.655 0.557 2.188 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 25.486 -6.518 5.957 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 8.213 8.346 2.830 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 -2.749 -3.145 -6.500 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 21.736 -18.602 10.033 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 -0.917 -5.479 -11.665 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -0.827 1.514 1.458 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 1.901 -2.138 -1.758 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 -9.930 14.313 -19.407 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 0.795 -1.977 -3.816 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -11.100 -10.844 5.206 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -3.000 -5.096 14.867 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 0.056 1.298 1.365 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 2.689 2.115 -2.260 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 8.892 0.509 0.717 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 -0.795 -1.300 5.853 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -11.743 -2.820 9.754 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 1.147 -14.898 8.774 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 -1.114 -4.046 1.692 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 22.742 29.612 -7.484 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 -10.012 16.988 14.487 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 8.540 4.221 4.539 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 -24.432 -8.340 -20.075 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -21.489 14.479 -24.303 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -3.121 2.110 1.219 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -8.008 -13.648 14.627 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 -12.470 20.482 0.641 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 0.219 -4.676 0.859 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 3.643 8.696 0.671 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 -5.376 -5.891 8.840 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -3.184 2.230 0.780 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -2.830 1.271 -9.655 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -8.743 -17.493 5.477 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 1.688 3.562 -2.673 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 -6.165 12.551 -9.329 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -5.275 -9.286 -2.787 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 -2.372 6.467 -3.610 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 -10.653 -3.245 -26.803 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 -6.596 -1.255 -17.860 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -0.888 -3.058 3.836 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 12.989 -5.504 -0.269 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 18.623 -18.960 -6.713 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -0.095 -4.791 2.500 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 -22.594 -4.118 -8.510 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 4.843 -12.429 -1.037 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 2.754 -0.145 1.139 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -35.393 -0.411 -12.507 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 2.245 -0.397 2.035 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 1.227 -5.400 -3.939 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 13.539 1.639 -11.641 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 5.681 1.274 -3.249 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 1.007 2.339 -2.139 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -20.882 5.808 -2.772 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -1.907 7.513 -18.866 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -3.280 -0.473 5.245 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -5.195 21.789 -1.196 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -1.981 -11.045 8.305 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 0.007 3.558 -5.111 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 -4.041 43.072 5.991 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 1.344 -6.725 4.558 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 -2.970 5.579 -3.393 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 2.490 -13.227 3.871 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -2.359 21.064 18.907 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 0.075 -6.061 5.906 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 23.324 -3.898 -3.291 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 7.982 -6.096 17.665 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 6.639 3.339 3.364 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -8.767 -12.186 -6.410 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 17.204 7.538 3.351 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -6.118 -0.546 -0.839 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -12.988 -2.211 20.691 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 12.497 1.633 -2.709 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -1.254 -0.222 0.316 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 8.548 -3.860 8.262 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 0.563 -6.749 -13.361 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 2.143 -2.201 1.349 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -5.643 12.601 44.473 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 0.486 13.795 4.017 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 3.554 -9.810 4.390 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 1.527 2.713 -6.349 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 -4.786 -12.420 -20.726 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 6.766 4.613 -0.979 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 20.115 14.100 12.692 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 -0.740 2.997 -1.814 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 -4.413 3.668 -5.740 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 -5.551 -18.709 1.318 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -6.920 3.897 -14.123 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 3.308 1.335 3.905 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -12.075 27.807 -3.538 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 -7.692 -16.786 24.357 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 2.215 1.063 -7.326 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -30.908 17.358 6.490 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 27.583 -20.826 -6.196 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 5.027 2.088 -1.222 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -7.384 -4.206 -9.316 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 -31.950 -17.099 -2.237 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 0.048 -2.902 -1.932 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 -16.192 9.931 6.173 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -4.077 -11.439 0.143 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 3.261 -4.780 -5.434 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 10.836 -8.514 1.396 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 10.519 -0.540 -2.585 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -3.163 0.620 -5.040 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 8.966 7.902 -2.800 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -9.395 6.323 -13.589 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 5.807 1.335 4.570 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 -22.459 3.877 10.469 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 10.283 2.013 8.503 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 -3.956 1.504 -1.910 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -1.612 -13.541 -1.846 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 -5.774 -4.466 -6.207 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 4.981 1.062 1.825 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 3.942 -3.234 -21.801 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 2.699 -8.905 -32.232 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -0.376 1.126 0.619 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -2.769 1.922 12.710 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 -7.389 -2.286 17.523 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 3.662 -3.904 3.203 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 -9.515 -9.136 -10.139 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 6.048 -2.552 8.707 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 4.303 2.230 4.381 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 3.275 -5.618 -0.078 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 -28.312 -4.162 -22.255 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 0.952 -1.922 0.036 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 6.236 3.136 0.905 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 -8.290 3.142 8.822 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 3.121 3.213 6.594 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -0.888 16.021 -11.782 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -4.610 -7.294 -4.182 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -1.404 0.117 7.159 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -39.301 8.668 13.766 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -6.580 -2.861 9.062 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 5.990 -1.632 -4.214 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 5.628 -8.169 -15.685 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 3.534 9.831 -4.870 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 -0.135 -3.926 6.263 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 -10.988 -11.835 18.369 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 7.039 -3.513 6.955 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -6.511 -1.415 -0.295 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 0.121 12.821 -21.749 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 6.890 13.717 -1.506 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 1.467 -0.310 -7.900 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 11.403 5.188 -3.638 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -12.481 -5.743 -19.598 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 10.515 -6.262 6.258 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -7.122 -15.122 -7.606 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 14.673 -16.353 36.281 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 11.143 -9.506 -4.006 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 16.906 18.616 21.780 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -43.730 -5.012 -0.078 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 2.143 2.784 -5.593 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 10.231 0.462 4.123 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -3.067 -32.732 -10.412 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 8.167 -3.015 2.308 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -18.910 2.811 10.756 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -4.140 34.659 -20.332 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 -2.397 0.316 -4.231 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 -1.534 7.374 -2.893 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -7.684 -0.000 -10.342 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 -2.434 2.762 -0.050 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 -22.652 -4.206 -18.760 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -9.761 14.023 33.643 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -0.578 2.875 0.396 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 21.076 2.916 36.302 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 -0.307 5.984 -5.832 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 3.189 -3.532 -5.199 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 5.722 7.151 -12.709 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 1.444 -7.193 -2.074 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -1.808 -6.675 -3.371 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 3.020 -10.048 -9.572 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 -11.899 -5.217 5.416 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 0.998 13.353 -6.441 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 5.868 15.237 6.466 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -22.682 8.342 -8.037 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 0.113 1.927 -0.616 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 4.011 19.450 -13.172 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 -13.529 -10.289 -11.716 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 4.900 1.789 3.278 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 3.492 -0.576 1.893 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 5.547 1.054 0.585 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 -5.046 -1.538 1.622 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 0.708 13.496 7.081 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 -24.853 -8.261 -4.831 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 6.185 3.704 -0.297 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -3.212 -10.669 -9.193 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -13.370 7.662 12.049 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 1.507 -1.237 2.425 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 12.737 12.026 -3.580 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 6.756 3.552 2.620 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -4.609 -5.166 8.466 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 16.934 -27.732 -9.206 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -6.232 -0.944 6.437 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 -4.045 -6.758 0.533 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 0.776 -1.821 7.513 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 -4.696 2.391 -10.700 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -3.256 -0.456 3.794 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -13.761 -1.437 8.210 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 13.827 0.031 9.415 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 -0.572 -3.552 4.964 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -2.459 4.878 -12.701 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 -26.610 -2.056 7.237 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 4.891 -3.884 0.102 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 19.443 11.368 14.146 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 -4.277 20.076 -1.820 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -1.882 -9.844 4.088 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -1.553 -13.880 4.543 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 -0.152 -15.570 4.579 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 3.780 -0.802 -7.065 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -4.271 -17.568 4.317 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 -28.728 -5.724 -11.403 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -6.740 1.447 3.530 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 -12.653 -11.615 -22.138 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -12.902 19.921 -6.657 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 -12.172 4.796 2.015 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 15.491 -2.103 4.111 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 -13.858 12.523 7.326 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 -4.763 3.094 6.872 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -23.657 -24.909 39.107 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -4.893 23.029 3.392 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -2.179 2.045 -5.275 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 2.955 -32.995 16.892 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 8.343 -22.764 5.697 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 0.290 -0.568 -3.891 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -6.522 12.940 -7.919 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 3.913 -23.969 -5.388 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 -3.542 0.320 -0.886 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 2.427 13.061 5.353 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 -3.837 -0.052 -8.429 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 -3.574 -3.315 -5.949 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 4.084 5.612 -12.429 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -11.934 3.092 -11.723 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 0.740 2.189 0.252 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -24.201 -4.845 28.546 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 -10.772 -6.040 -7.612 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 2.495 -1.985 7.774 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -3.023 1.408 -3.491 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 6.291 -14.248 6.131 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 -5.144 -4.959 7.312 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -2.105 -25.065 -4.558 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 9.632 -5.080 2.758 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -3.668 3.912 5.409 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 10.925 -3.843 -13.972 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -10.728 12.586 -9.125 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 1.217 6.957 -5.594 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 18.104 7.986 -12.412 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 -4.421 7.880 -4.884 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 -2.405 0.283 -2.424 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -16.131 19.343 15.063 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 3.732 -21.512 14.697 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 4.377 4.217 8.467 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 6.706 -4.337 8.951 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 6.544 9.269 11.553 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -3.452 -3.637 -3.145 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 33.171 12.318 8.633 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 1.209 -16.376 -15.990 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -2.869 5.407 -0.917 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -6.272 8.830 4.497 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -14.420 23.600 -19.237 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 -4.845 0.164 3.494 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 -1.377 -23.352 2.812 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 -17.675 14.164 -1.174 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 0.732 3.332 0.225 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 19.287 37.149 24.356 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 -31.550 -57.766 -6.227 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 0.968 2.147 1.223 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 -25.598 -22.552 0.086 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 7.690 14.049 1.567 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 1.310 5.271 5.096 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 15.941 9.041 5.593 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 2.245 9.181 7.104 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 -4.158 -1.504 2.132 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 -5.955 -2.220 7.642 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -6.095 -7.795 0.459 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 1.145 3.110 2.840 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 5.729 5.745 10.236 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 -2.210 14.670 7.691 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 1.421 -4.733 0.069 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -18.745 -17.919 -20.454 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -11.764 18.753 13.294 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 0.436 0.741 -3.275 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 11.537 10.158 -8.751 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 -16.200 3.807 2.538 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -2.086 -2.209 -0.519 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 -16.875 9.731 -15.382 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 5.850 -6.878 7.659 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 2.534 2.127 4.275 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 -12.082 -3.220 -18.738 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -2.851 0.904 -4.510 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 2.982 -1.362 -0.281 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 -5.743 -4.190 -1.371 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 9.562 -9.898 -8.212 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 -1.057 -2.806 -0.640 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 13.296 14.840 8.155 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -17.849 -13.778 12.708 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -1.688 1.642 -4.152 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 -6.920 15.534 19.093 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -5.969 3.545 -15.820 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 -1.718 7.125 -1.087 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 13.164 6.692 6.758 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 -1.745 -3.632 14.428 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 -8.740 0.559 -0.001 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 -16.389 -2.223 21.058 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 -9.890 -2.798 -15.930 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 4.180 0.221 -2.096 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 3.021 2.706 -3.179 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -1.532 0.652 -9.684 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -4.497 -3.687 1.772 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 -4.589 -3.433 4.971 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 -7.451 -6.161 8.102 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 2.160 -3.474 -0.302 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 -17.276 -10.906 -10.993 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 1.637 -2.072 -0.638 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 0.173 3.029 1.278 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -6.465 7.235 -9.401 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -2.620 -18.128 3.082 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 -0.231 -1.493 8.468 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 13.444 13.563 12.257 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 10.733 -1.570 21.723 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 6.710 -1.638 -5.540 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -7.129 -1.163 -15.585 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 9.473 -50.275 20.042 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 0.651 -5.542 -0.563 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 6.533 -0.953 -8.048 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 14.553 0.705 -5.314 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -1.032 5.697 1.413 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 35.354 11.068 -0.025 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -41.513 -15.914 -6.136 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 3.410 2.665 -0.454 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 -3.353 -8.579 4.457 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 2.146 0.021 0.977 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -2.230 6.174 -2.198 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 -4.875 7.392 6.753 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -30.518 0.877 3.047 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 0.360 7.574 -8.377 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 8.672 -24.675 -0.271 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 4.280 -5.829 27.241 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 3.041 5.166 0.799 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 -1.940 11.061 -13.436 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 23.881 33.278 9.327 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 0.527 2.537 -5.724 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 14.443 -9.162 12.760 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -14.713 -13.938 -8.842 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 2.124 -0.408 0.615 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 14.426 -20.987 -10.162 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 -31.987 -4.176 -2.623 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 0.047 4.342 -2.545 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -0.617 13.202 -1.622 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 4.731 -19.894 -4.988 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 -2.444 3.093 5.385 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 -11.408 -3.437 6.141 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 29.222 10.788 11.227 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 -1.004 4.462 3.992 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 -0.374 -11.396 5.450 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 -13.964 2.168 0.221 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 -1.703 -4.292 -2.207 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 8.934 -10.440 5.825 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 8.743 -8.537 -5.203 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 2.968 -1.749 3.933 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -0.652 -2.682 5.368 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 19.670 3.266 -8.106 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 -2.491 11.158 -2.617 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 8.493 20.371 -6.834 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -1.897 9.621 -8.834 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 1.383 -0.216 -5.364 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -3.776 -13.982 20.798 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 26.634 -0.825 -8.826 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 6.178 -4.325 -0.659 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 12.109 -23.918 -4.271 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 3.826 -12.077 -4.651 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 1.184 -5.183 4.491 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 -10.388 11.313 0.636 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 0.488 -22.488 -2.916 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 -0.192 8.748 4.709 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 -15.991 9.513 17.595 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 14.758 2.674 17.954 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 0.383 3.926 1.161 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 -24.998 7.772 11.169 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 7.926 -19.102 -17.006 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -4.426 -3.583 -2.689 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 -8.906 1.876 -13.283 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -5.536 -16.873 4.787 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 5.959 -1.653 0.605 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 9.596 2.156 1.266 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 -0.311 -3.787 0.385 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 2.621 7.271 -3.981 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 -14.802 16.495 10.316 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -7.983 12.534 -0.965 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 0.947 -7.149 4.424 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 20.020 -8.161 0.102 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 28.458 -10.886 -24.005 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 2.032 -9.849 6.504 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -10.058 17.440 -22.094 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 -13.521 -15.991 -5.751 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 0.019 4.962 1.919 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -11.191 1.969 -5.254 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 4.524 1.022 -2.906 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 -3.509 2.930 7.090 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 -4.063 5.245 -4.130 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -3.340 0.520 15.167 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -6.192 -3.386 -0.962 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 -5.936 -2.876 0.277 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -6.859 -4.844 27.187 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -2.599 -1.363 5.688 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -8.669 -7.031 -9.223 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 -10.398 -10.103 -18.917 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -4.616 1.465 1.995 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 12.420 7.628 -9.692 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 14.399 26.361 -3.989 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 3.816 -1.448 -1.386 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 3.737 9.138 -3.777 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 5.120 -7.471 7.896 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 4.458 -2.470 1.494 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -4.846 6.899 1.267 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 8.581 -11.516 3.263 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 5.665 -2.422 -3.817 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 -4.401 4.072 -11.573 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 3.258 3.594 -12.767 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 2.006 -4.228 0.383 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 13.212 -2.327 -24.524 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 1.344 3.378 8.494 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 -0.166 1.707 -2.900 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 -3.617 2.927 -12.724 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -5.142 10.490 2.912 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -3.469 3.639 4.447 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 0.527 15.146 -9.624 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 4.651 -11.859 13.994 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 -2.960 0.381 -1.012 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 -3.781 1.760 -0.014 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 -4.597 4.079 1.078 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 3.116 1.457 -3.075 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 10.884 0.349 1.765 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 3.530 9.236 -6.452 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 4.465 -6.713 0.871 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 2.919 -7.492 -0.151 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 5.032 -6.421 0.873 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 10.053 4.136 -1.369 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 17.770 -7.205 4.652 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 15.414 -0.323 -26.891 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 3.697 -0.266 -8.290 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 3.664 0.781 -9.508 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 21.194 0.040 15.227 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 1.673 -2.450 1.178 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 -7.971 -11.517 2.897 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 6.040 -8.372 -9.592 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 3.238 -2.054 1.662 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 -4.684 8.937 -5.239 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 12.970 -8.960 27.559 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 0.659 -6.647 2.169 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 -3.440 -2.260 20.480 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 -12.527 8.280 -5.316 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 -1.088 -6.065 2.162 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -13.674 -5.310 8.395 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 5.568 -6.802 11.209 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 -7.461 -2.116 5.201 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 -18.233 20.701 -2.836 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 8.340 17.525 -2.317 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 -0.742 -2.861 -4.610 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 12.518 4.795 16.161 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 1.762 -5.112 0.665 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -4.763 4.125 -1.636 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 5.195 -0.821 -12.912 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 1.448 -2.705 -5.178 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 1.051 -1.363 -9.217 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 -4.356 1.246 -4.991 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 -10.653 1.905 3.458 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 4.916 0.547 -6.138 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 0.682 -0.461 5.921 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 3.558 6.900 -9.483 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -2.262 -1.249 4.641 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 -0.801 -6.069 21.234 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -1.699 5.760 -3.192 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 -6.275 -5.745 -0.281 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 -13.781 11.590 11.642 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -5.061 -13.299 -2.951 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 3.531 -3.982 -1.982 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -17.956 -10.093 -13.459 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 -9.720 5.247 -13.501 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 3.783 6.685 0.965 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 3.131 28.298 6.702 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 1.113 -9.771 12.608 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 4.204 0.575 -1.526 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 15.910 9.192 3.959 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 5.280 -4.856 4.106 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -8.021 -2.758 -0.656 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 -12.686 -9.740 8.889 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 5.572 -12.309 -4.704 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -0.520 -1.945 0.608 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 -9.762 3.247 -2.335 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 13.734 -14.496 3.529 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -4.609 -3.153 2.412 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 3.117 -12.017 -9.118 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 1.751 -9.406 19.881 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 0.606 1.200 -8.608 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 7.625 2.886 -14.524 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 5.600 -10.279 -8.751 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -8.766 3.839 -5.383 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 -5.750 7.088 1.065 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -3.278 15.235 12.590 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 0.343 -2.368 -2.316 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -8.079 -2.409 8.189 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 13.256 -7.983 12.868 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 -1.320 -8.107 5.263 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 13.440 9.198 -17.475 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -4.646 -18.088 20.210 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 4.676 1.699 -0.303 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 -2.514 17.628 6.573 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -15.076 -11.721 -11.055 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 -1.570 -0.472 4.434 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 -1.160 5.932 9.100 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 6.129 -13.700 -6.811 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 -2.737 5.875 -6.291 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -18.820 5.614 -28.452 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -13.840 11.055 -25.622 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 4.093 2.044 1.956 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 -7.672 3.379 -12.078 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 10.311 8.219 -19.026 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 3.196 -5.214 1.242 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 -7.531 -6.854 3.441 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 3.482 -11.703 2.441 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -5.909 -3.173 -1.077 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -7.913 -4.552 13.706 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 7.612 -6.209 -2.232 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -1.450 3.422 2.072 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 13.865 4.447 -4.192 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 -2.598 0.908 11.199 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 3.495 -3.968 -0.230 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 22.732 -9.213 6.309 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 6.515 2.324 -16.034 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 3.132 -1.974 1.839 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 15.612 -10.634 -7.555 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 10.443 1.468 17.858 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 3.607 3.623 -2.394 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 6.148 -1.136 -13.051 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 -3.950 -8.826 0.055 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 4.862 -4.652 -3.428 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -15.801 -1.292 9.546 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 24.903 17.119 -23.989 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -1.290 -9.783 3.086 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 11.460 -7.519 14.681 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 6.232 -15.840 5.703 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -5.186 0.495 2.060 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 2.466 -2.400 3.002 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -4.791 9.031 4.555 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 1.212 2.176 -0.182 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -5.659 14.999 13.488 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 -4.125 12.781 11.147 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 2.791 -5.476 3.945 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 3.294 -1.479 6.899 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 -2.139 -8.359 5.015 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 -2.667 -3.805 0.855 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 4.088 5.654 3.713 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -10.759 16.900 -1.689 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 0.107 3.035 -2.204 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 1.955 6.571 3.878 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 1.781 5.615 4.952 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 -4.922 -0.185 -1.897 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 0.429 -7.002 0.059 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -11.818 14.660 -2.556 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 -2.569 -4.749 0.064 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 5.745 -16.261 8.289 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 0.161 -9.173 5.403 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 3.665 -5.745 -4.974 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 5.376 -8.964 9.604 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -0.229 -2.214 -15.136 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 1.784 3.344 2.353 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 0.064 -5.879 25.682 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 -0.906 6.394 -6.033 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 1.407 -2.438 -1.852 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 5.020 8.870 15.116 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 -35.672 -19.436 -20.724 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 5.670 -1.340 -11.008 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 38.241 12.151 -3.654 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 10.014 -11.035 -20.096 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 -0.649 1.413 -1.100 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 5.652 -16.906 1.482 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 -2.925 10.389 -2.083 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 2.459 -0.218 -3.114 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 2.360 9.780 20.345 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -10.601 4.711 -4.011 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 -3.860 4.520 -0.370 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 -3.807 -7.261 3.414 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 -13.479 3.039 -4.061 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 -1.191 -4.550 -2.528 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 -7.450 -15.735 -7.442 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 6.704 -10.269 7.860 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -7.460 -2.775 -1.309 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 -11.954 0.753 17.407 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -13.294 -44.988 3.935 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -1.087 -3.023 2.312 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 14.841 -0.120 11.428 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 -0.641 10.434 8.217 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 4.233 7.814 2.553 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 5.950 -1.005 14.421 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -13.796 4.441 -0.623 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 -7.170 -4.769 -5.882 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 -0.682 14.600 0.251 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 6.938 26.006 2.805 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 0.841 -8.299 2.186 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 12.252 -4.896 20.916 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 -1.291 -22.687 -8.439 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 -5.008 0.683 6.156 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -4.217 -2.657 8.394 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -8.134 22.697 -11.653 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -2.227 -2.338 2.477 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 28.904 13.548 4.201 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 -24.467 -12.252 1.358 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 -4.178 0.609 1.482 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 6.683 11.408 5.724 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -13.407 9.470 -0.987 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 0.112 -6.079 -1.714 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 -3.058 -18.518 0.721 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 -4.450 -15.902 -2.120 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 5.068 2.049 -2.327 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -7.361 -4.383 -0.709 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 19.011 -14.334 -4.808 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 7.173 -0.007 7.040 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -15.247 -2.084 8.240 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 5.140 -8.048 29.353 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 0.472 0.742 -2.885 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 2.661 -4.103 -3.040 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 -8.546 10.317 -1.254 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 -0.127 -0.967 1.697 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 17.628 -7.734 -17.033 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 14.325 -5.976 -4.241 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 0.506 2.281 -2.572 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 10.208 10.143 -19.639 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -0.906 14.316 -19.614 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 -1.203 -4.896 1.600 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 3.929 -13.983 -5.036 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 5.549 3.432 -5.081 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -1.104 2.915 -0.704 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 11.641 -10.692 10.956 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -20.859 -8.759 -9.407 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -2.270 -2.223 3.799 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -6.150 -6.885 -12.528 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 10.084 -11.134 20.120 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 -4.544 2.113 -7.076 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 3.690 6.166 -1.294 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 11.038 10.807 4.538 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -2.691 -5.825 6.956 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 10.503 16.145 3.404 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 -21.889 0.190 10.378 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 1.489 -9.467 -4.304 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 14.005 6.339 0.213 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 19.613 15.686 -13.153 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -2.974 3.445 1.883 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 3.474 2.419 -13.287 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -4.197 -1.998 15.819 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -5.391 -1.321 -2.435 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 6.935 -3.808 23.346 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 2.276 -17.515 15.774 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -1.170 2.351 5.748 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 18.389 -7.222 5.237 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 -11.618 22.878 -2.318 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 3.569 -0.556 -0.416 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -3.388 -11.676 2.784 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 0.467 2.921 14.496 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -7.061 -6.315 -2.183 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -15.772 -14.751 10.218 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -13.815 0.520 7.760 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 -0.987 -3.948 -4.886 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -16.920 -1.087 12.548 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 -14.062 -15.485 -7.737 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 0.278 -3.225 -7.602 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 -8.598 -3.584 -7.871 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 4.739 1.426 -1.414 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 0.490 0.126 -2.295 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -12.902 1.188 11.908 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 -26.061 8.446 8.526 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 -0.662 -2.121 5.167 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 2.407 -1.952 7.151 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 8.228 -0.911 22.159 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -1.551 2.210 -3.781 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 3.758 4.006 -4.792 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 5.429 9.252 -6.477 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -3.508 1.871 5.736 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -32.267 -13.140 2.926 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -8.309 5.661 -10.142 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 5.555 -2.718 0.977 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 11.447 -4.809 20.209 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 25.349 -19.380 11.034 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -7.918 4.358 -5.125 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 -18.190 7.422 -8.878 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -19.304 19.860 9.116 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -0.793 -1.954 8.186 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -21.552 -10.548 11.108 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 9.680 12.424 1.387 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 -1.838 0.439 -0.016 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -9.914 -3.706 -3.870 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -9.430 7.935 -18.649 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -3.132 0.205 -2.160 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -1.890 24.984 30.837 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -1.193 10.616 18.406 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 -3.379 -2.276 -0.427 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 8.170 19.122 12.209 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -7.109 -23.001 -13.416 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 -4.954 -3.048 -0.286 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 13.895 1.939 -6.972 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 -5.184 -13.267 -5.593 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -3.049 -0.455 2.205 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 -1.966 2.807 0.176 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 4.128 21.226 8.807 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 -5.753 -7.425 2.493 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 -8.630 0.160 8.380 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 13.231 -6.649 0.615 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 -3.294 -4.386 -1.069 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 13.658 -21.095 -9.566 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 0.211 8.297 -0.178 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 2.953 -1.276 0.275 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 -3.701 7.694 -3.873 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -10.353 4.913 -18.201 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -1.986 -3.398 -1.097 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 -5.981 2.870 -1.383 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -10.937 5.004 3.483 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 3.775 1.527 10.031 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 0.923 1.264 14.728 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 23.228 3.201 -19.217 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -0.176 5.105 1.492 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 35.695 -23.164 -17.477 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 8.342 -2.947 19.906 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -4.698 7.793 2.723 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 -14.280 25.828 -7.699 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 16.283 15.789 1.385 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 2.254 -2.051 3.329 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 9.458 -14.009 -2.326 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 9.895 -18.539 0.541 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -0.194 -6.122 -0.998 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 4.951 0.760 -7.999 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 2.510 -15.950 -8.923 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -3.275 0.605 4.062 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 16.069 -6.341 -1.978 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -1.718 3.378 -1.367 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 1.639 -0.865 -1.536 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 22.610 -0.848 -1.150 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 14.655 -1.833 1.073 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 7.350 -0.328 5.851 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 10.371 -23.812 -8.818 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -19.389 -0.402 12.436 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 0.163 6.189 3.360 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 -13.115 -2.423 27.535 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -15.318 7.530 -0.994 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 -7.210 1.846 -1.356 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -5.534 -7.796 -5.674 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -7.344 3.072 -2.752 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 3.482 2.962 0.937 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -0.795 -0.749 1.099 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 1.046 6.789 -0.552 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 6.949 -0.711 -1.574 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 -7.611 -1.329 11.851 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 9.115 -2.900 -3.531 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 1.253 -3.013 0.709 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -5.910 18.455 8.663 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 14.181 10.931 -5.854 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 -1.933 1.647 -4.265 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 23.383 7.970 -7.591 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 0.935 -16.948 13.808 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 -0.006 0.866 -8.181 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 -4.962 7.601 -7.943 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 5.755 -6.518 -3.816 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 -4.046 -7.854 -2.106 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 7.481 -11.136 -1.425 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -5.917 8.047 0.478 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 -3.875 0.896 -4.131 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 2.624 29.440 6.992 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -3.253 -7.906 -8.961 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 2.476 5.756 1.660 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 -2.963 27.766 -8.981 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 17.878 -9.160 4.434 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 3.916 -8.204 4.713 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 12.111 -10.716 3.774 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 -16.988 1.995 12.375 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 2.218 1.513 -7.975 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -25.864 -20.145 -6.585 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -6.277 32.122 -1.985 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 0.100 -8.810 5.312 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 10.295 -2.275 -2.116 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -7.915 5.019 6.485 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -3.631 -0.533 9.528 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 13.295 22.030 0.540 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 1.855 -21.670 -10.976 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 9.414 0.743 0.567 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 5.584 1.227 3.684 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 6.948 -1.367 -4.954 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 5.815 -1.059 1.532 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 10.511 -9.995 -5.231 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 13.604 7.482 5.814 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -1.669 -7.327 -0.516 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 1.404 11.186 11.652 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 10.009 -17.575 -15.163 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 8.362 -4.755 6.589 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 -2.328 -13.105 9.520 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 23.598 6.970 2.058 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 -3.411 1.741 7.639 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 7.254 3.416 -5.780 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 0.402 0.759 6.749 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 5.257 -5.346 1.593 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 6.252 7.258 -19.312 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 25.238 -9.984 18.871 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 2.668 2.847 1.655 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 5.735 -1.189 -18.796 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 -16.451 7.288 -22.238 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 5.807 1.821 3.078 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -1.490 1.107 13.737 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 4.822 -2.842 -5.020 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 1.381 1.442 -1.607 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 8.427 2.988 1.781 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -1.260 4.358 -1.653 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 8.997 -4.468 4.920 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 0.608 -1.972 14.832 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 19.208 2.800 4.112 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 -4.992 -1.323 0.925 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 -21.023 8.736 2.165 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 1.418 -24.351 14.528 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 1.554 -1.697 4.451 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 7.966 -12.096 1.355 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -0.929 1.510 23.325 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 4.527 0.158 -0.483 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 8.084 1.205 -25.817 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 29.578 -14.666 2.544 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 -6.685 -6.065 3.409 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 -0.162 -7.731 9.274 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 -7.716 -9.793 -16.552 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 5.475 3.871 0.244 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 -11.240 11.941 13.538 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 0.120 -18.168 -3.591 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -0.646 -0.085 -0.097 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 15.094 4.083 14.792 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -0.303 30.622 0.682 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -1.494 9.772 -4.505 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -18.610 37.854 24.359 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 6.526 -0.889 -2.133 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -0.175 2.865 -2.393 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -16.417 12.195 15.903 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 -19.712 -4.246 -16.844 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 -4.239 1.093 -2.754 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 22.869 -7.166 1.838 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -7.432 14.252 -18.061 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -1.053 -0.380 3.658 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 2.361 10.244 19.159 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 10.872 1.591 15.657 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 2.757 -2.425 1.851 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 1.679 -12.368 19.017 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 18.114 2.270 6.952 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 -0.056 2.734 -1.088 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 9.867 12.639 14.797 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -13.718 -0.012 21.066 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 -2.284 -4.383 -0.329 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 11.422 -0.572 -15.251 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 -0.947 8.585 11.183 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 0.967 1.000 1.918 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 -14.672 -9.313 2.534 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 10.113 -6.628 13.698 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 3.912 2.795 0.138 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 0.726 11.878 -2.161 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 10.841 4.479 11.275 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -2.062 -1.261 -5.496 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 -8.376 1.658 -10.896 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 21.970 5.387 -5.497 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 0.830 9.372 -5.422 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 -18.963 8.899 9.556 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -19.485 1.576 13.512 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 0.026 2.896 1.035 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 -9.581 -18.262 -2.335 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 5.010 -4.592 6.652 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -3.116 2.783 -3.414 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -16.116 5.264 13.617 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -12.764 -9.116 -17.108 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 -0.671 2.902 1.088 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 25.770 22.393 -1.032 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 5.023 12.570 -2.032 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -5.066 1.663 -0.122 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 4.358 -1.340 -1.739 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 -15.262 4.870 6.380 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -1.001 4.886 5.160 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 -3.574 1.007 -12.224 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 -1.061 3.566 1.596 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 2.255 -2.365 0.480 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 2.970 -19.990 -2.677 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 6.891 -39.356 -11.720 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -1.911 -0.854 1.006 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 6.137 -11.514 8.043 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 31.246 -23.048 0.494 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 -1.434 1.471 1.417 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 3.193 -1.739 -0.129 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 1.288 10.283 3.934 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 -4.168 -1.268 -8.717 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 8.208 -4.112 10.601 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 2.529 4.654 -34.970 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 6.117 0.498 4.838 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 6.521 -6.474 4.419 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 -0.815 7.181 -1.336 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -8.711 -2.262 0.331 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -2.089 -3.712 -0.316 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -25.138 -1.862 -1.366 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 1.444 -2.493 -4.572 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -5.904 9.046 3.502 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 8.412 -7.658 -16.733 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 0.478 -0.861 -1.726 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 8.963 10.050 -5.237 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 7.689 -0.494 9.750 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 -0.997 4.597 1.373 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 7.896 8.876 -3.884 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 2.211 7.795 -0.981 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 1.480 -11.234 -7.332 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 11.554 -17.175 20.186 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 5.254 -2.669 -6.525 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -4.458 0.062 -4.043 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 -12.822 -1.629 0.086 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 35.837 -2.753 -6.837 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 -0.990 5.034 0.284 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 -19.441 -3.750 5.157 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -13.641 2.147 13.283 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 3.669 0.327 3.542 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 -14.927 -20.380 2.625 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 -16.218 13.381 11.132 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 0.650 4.040 0.782 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 2.865 3.163 20.880 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 3.043 3.829 15.085 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 0.212 1.061 -2.841 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 -3.881 -6.450 5.704 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -10.750 -13.436 14.273 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 -1.177 2.890 6.208 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -3.386 -13.632 -23.314 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -0.948 12.363 20.612 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 1.202 -0.554 1.000 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -5.882 0.674 -3.477 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 17.310 0.382 2.438 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 2.435 5.952 -4.870 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 1.975 24.101 0.597 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 0.867 5.705 -2.162 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -0.628 -3.225 4.104 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -4.383 -9.070 -3.934 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 5.425 0.142 1.349 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -0.793 1.552 2.499 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 6.942 16.175 -8.879 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -4.025 -6.086 6.316 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 -3.222 -2.968 1.956 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 23.386 -0.586 1.392 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 5.225 -10.041 -0.618 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 0.779 -3.779 2.047 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 -8.873 3.294 -6.900 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 9.104 -2.938 -15.576 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 4.193 -5.745 -5.572 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 4.798 -13.110 -23.697 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 6.270 -22.154 5.182 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 1.625 -7.013 -0.520 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 0.144 -14.307 3.808 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 -9.856 -10.045 6.266 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 -3.187 4.174 -4.530 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 1.019 -1.695 -9.142 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -12.262 6.964 -0.303 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 3.399 -4.523 0.649 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 8.817 0.147 -11.288 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 12.054 4.724 7.922 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 7.158 7.134 -0.097 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 8.210 1.745 12.802 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -1.204 12.396 5.034 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 2.381 -0.211 -2.339 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 3.634 13.535 4.057 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 -1.407 7.512 -1.003 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 7.798 0.100 -0.227 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 0.285 5.143 5.724 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 6.342 3.005 -7.753 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -0.676 1.094 1.964 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 8.965 6.370 3.713 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 0.102 2.316 -0.073 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 -0.787 -3.862 1.681 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 6.741 15.997 -25.491 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 7.833 -11.205 -7.340 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 -6.271 7.359 2.456 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 11.097 12.115 2.998 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -0.547 -7.951 -10.304 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 5.268 -3.963 0.870 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -25.676 7.137 -18.107 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -18.469 4.717 -13.676 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 -1.280 2.936 -3.987 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 12.206 1.630 18.469 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 5.852 -3.797 -7.562 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 1.435 3.161 -6.541 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 -2.025 -2.388 -2.299 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 7.859 4.439 -1.361 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 5.058 1.356 2.679 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 9.245 -6.272 -6.044 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 4.657 10.147 -0.607 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 -3.427 -3.586 0.484 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 -4.280 -12.228 -13.949 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -0.518 13.405 -8.379 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 1.020 0.811 0.279 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 8.361 3.855 -6.218 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 -7.617 1.779 -4.848 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 0.749 -0.254 -3.693 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 38.717 -8.981 -2.216 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 -24.560 -14.493 10.820 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 1.130 -0.041 3.552 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 10.123 1.659 4.853 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -0.179 -7.718 -2.077 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -5.586 -1.815 8.890 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 1.202 -2.124 -0.393 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -3.053 -12.993 4.011 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 5.366 2.623 0.880 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 2.505 -8.481 -11.794 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 2.058 -3.700 -11.708 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -2.688 -6.097 1.674 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 8.048 -2.094 -4.019 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 27.703 0.615 -13.621 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 2.183 3.730 -1.340 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 4.973 1.315 -3.524 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 0.512 10.370 1.012 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -0.327 -1.674 -4.536 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 12.957 13.853 16.537 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 3.880 1.154 5.799 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -8.074 3.323 4.055 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 -10.667 11.507 11.108 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 -22.781 2.976 -21.517 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 2.179 -0.461 -2.274 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 -0.569 0.565 3.606 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 -2.677 -2.424 -0.238 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -2.401 3.064 3.969 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 6.585 -1.869 -0.716 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 8.720 7.989 6.398 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 4.295 -2.599 0.932 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 7.923 -1.030 4.407 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -21.084 -5.118 -24.864 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -2.077 3.966 1.484 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 -13.994 -7.789 5.338 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 -3.771 4.132 0.178 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -3.571 -0.046 -5.138 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -0.940 1.130 9.044 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 8.356 7.506 -10.311 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 0.681 -0.243 4.771 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 14.566 -18.029 -23.660 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 18.869 14.603 12.300 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 -6.851 -7.171 -0.558 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 -9.385 -5.566 -5.837 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -7.030 -9.412 -26.760 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 -5.845 -0.745 0.545 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 -10.239 -4.078 5.606 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 -6.550 -2.636 -4.416 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 0.879 0.511 -2.788 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -6.324 -6.060 -11.568 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 -4.266 -2.144 -8.427 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -2.134 3.734 4.208 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -7.271 -11.145 2.277 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 -1.667 9.427 0.304 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 0.897 0.735 -0.973 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 6.967 20.137 -7.524 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 -5.223 -9.328 -29.783 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 4.991 0.827 2.826 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -13.966 -12.613 7.803 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 21.529 -1.698 7.800 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 0.633 4.126 3.945 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 5.681 -14.851 32.526 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 11.400 -4.754 8.104 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -1.327 4.449 -10.914 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -6.666 -4.740 -17.699 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -0.777 2.259 -12.215 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 -6.234 -5.542 -3.167 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -4.462 -4.918 -2.889 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -12.991 -13.756 3.279 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 4.775 -1.745 -1.395 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -12.960 14.387 -4.843 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 13.388 -11.000 -1.575 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 1.851 -3.740 -1.432 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 28.655 10.102 12.608 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 0.440 -12.599 0.532 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 0.852 0.807 -5.066 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 8.033 13.861 -15.154 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -12.478 22.686 0.141 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -0.853 -2.291 -2.970 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 11.276 23.007 -20.081 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -18.806 -3.935 27.507 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -0.671 2.987 3.422 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 -0.819 -7.948 -19.217 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 -6.283 -5.669 -20.846 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 2.373 -7.497 -1.033 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 1.841 -9.162 4.497 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 8.271 -5.595 -1.525 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 -1.570 6.959 -0.474 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 3.610 9.663 0.185 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 -22.260 -5.843 -0.175 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 2.094 -3.055 8.675 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -5.643 -30.404 -10.913 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 10.500 29.128 11.275 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 4.140 -3.439 -1.369 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -3.118 12.727 -1.557 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 12.704 -0.635 -15.985 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 4.238 0.470 5.784 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 0.126 8.395 17.602 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -9.832 14.365 -15.464 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 2.793 4.518 -1.311 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 4.404 -9.181 4.995 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 -0.188 2.453 -16.921 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -1.913 -0.875 -2.203 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -12.520 -3.037 11.145 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 4.183 10.907 8.371 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -5.135 -5.656 2.603 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -12.015 -7.093 1.337 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 27.148 -24.503 -18.414 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -5.384 -2.848 -1.609 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 0.909 7.236 -4.509 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 1.954 -1.117 -29.803 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -3.301 -4.983 5.048 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 29.619 -7.869 -20.873 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -9.334 0.664 -5.882 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -5.043 -2.016 0.723 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 -4.568 -2.325 -9.808 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 10.060 -7.566 3.243 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 -2.231 -1.736 1.622 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 18.355 7.175 29.886 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 8.699 4.193 19.264 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 -1.334 1.456 0.886 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -10.140 9.151 0.210 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 9.112 -5.560 -2.482 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 3.374 3.400 7.273 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 4.212 2.054 5.638 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -1.901 -0.758 -1.911 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 5.886 -4.331 0.914 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 5.121 -2.144 1.078 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 5.400 -6.458 0.208 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 3.998 4.450 0.553 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 2.349 12.338 -4.005 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 0.742 10.699 -17.193 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 -2.916 1.254 1.356 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 -4.519 0.202 1.581 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 7.376 7.128 30.978 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 8.270 3.170 -3.345 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 5.996 8.950 -7.770 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 3.030 -0.642 -3.029 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 0.927 -2.645 3.975 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 -2.495 1.553 0.123 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 -1.139 27.769 19.936 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 4.853 -0.333 1.264 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -5.472 3.275 -14.444 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 7.005 -0.532 -8.247 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 -1.844 8.808 -0.657 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 2.613 6.644 13.329 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 -10.710 10.468 9.353 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 1.837 -4.419 1.058 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 -8.321 8.967 -5.201 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -10.860 4.281 8.067 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 -5.623 -3.736 4.842 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 10.606 -14.046 -19.378 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 -2.558 -3.549 -9.529 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 0.516 -1.218 -3.548 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -8.771 4.258 -14.688 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 4.577 0.089 -3.039 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 -1.072 1.299 0.714 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -0.219 15.768 -7.998 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 0.575 -1.330 23.804 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -5.969 -0.702 -3.942 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -30.057 -11.095 -0.251 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 7.337 4.698 -21.442 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 4.287 1.946 -0.035 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 12.580 -0.488 -2.772 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 -5.082 0.655 1.050 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -5.358 3.308 -5.605 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 11.610 -10.907 -3.365 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -0.258 -14.083 -8.092 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 -1.108 2.341 -1.620 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 1.789 19.092 -4.854 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 -10.263 5.819 -12.750 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -2.543 -1.226 -7.231 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -8.561 18.557 -3.140 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -11.052 -21.000 -12.100 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 1.663 0.727 -1.061 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 5.555 9.357 -2.399 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -1.317 -4.126 -7.242 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 -3.266 -6.732 0.568 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 -6.809 -4.415 -4.309 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -7.338 -9.445 2.809 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 1.747 -4.878 0.194 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 -9.286 -3.883 -17.891 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 -3.662 23.817 6.382 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 -8.834 6.774 4.312 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -14.325 -18.616 -0.142 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 -7.812 18.279 1.412 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 -3.044 -0.425 -0.660 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -2.456 -11.350 -14.162 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 10.201 10.961 18.434 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 2.361 -1.292 -1.839 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 8.457 -5.806 3.117 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -21.047 5.438 -0.932 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 -6.772 3.558 1.455 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -31.188 -3.692 0.428 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 -12.984 -4.029 1.144 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 7.026 7.240 -1.467 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -2.581 13.993 -16.900 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 8.592 -3.064 -6.843 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 2.007 -0.134 -3.966 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -3.251 19.965 0.506 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 11.124 -4.594 20.305 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 0.621 -2.608 -14.446 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 -9.889 -18.961 -1.372 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 5.188 0.650 -17.502 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 2.565 -0.444 0.912 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -11.888 -21.936 -14.294 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 16.790 8.553 3.796 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 -3.971 -3.802 0.617 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 -3.783 -16.713 -4.219 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 4.947 -11.939 5.407 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -0.090 5.506 4.912 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 13.526 -17.510 24.392 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -2.962 -4.606 8.738 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -1.556 2.450 -3.096 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 22.034 9.737 2.938 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 5.296 -5.481 -5.190 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 1.913 -2.923 -5.665 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 8.484 13.193 2.049 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 5.664 -2.032 8.438 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 5.218 -0.114 -5.154 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 1.622 -19.777 -6.901 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -1.151 -8.643 -1.331 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 4.760 -1.068 1.885 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 10.852 -6.878 12.424 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 -4.181 33.948 -20.089 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 3.853 -2.875 -1.907 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -24.828 5.394 -14.690 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 15.135 12.421 9.932 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -2.357 -0.407 1.714 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 -2.197 0.850 -3.980 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -4.716 -2.253 2.666 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -0.797 -6.307 -1.845 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 -8.679 5.295 -0.878 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 0.160 4.764 6.938 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 2.341 -1.720 1.541 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 2.735 2.013 -2.239 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 8.440 -1.844 -2.381 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -0.905 1.529 -3.005 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 11.862 3.264 -3.963 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 15.445 3.325 -2.571 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 4.305 1.526 -4.434 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 20.687 -14.250 -5.978 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -5.821 13.507 21.199 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -2.034 1.928 -0.467 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -6.365 2.465 13.374 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 15.783 11.494 3.222 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 0.384 -8.713 -6.847 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 -8.275 -4.222 0.063 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 -20.814 4.378 9.621 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 2.796 6.617 -5.271 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -9.887 19.522 16.524 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 11.488 1.427 -7.133 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 -4.778 6.273 3.631 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -1.113 19.210 7.750 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 -0.316 -18.940 7.028 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 1.465 -1.746 2.075 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 -14.864 -5.720 -11.240 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 -6.601 10.680 -27.294 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -1.352 3.992 1.602 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 -5.199 7.834 -1.830 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 -7.729 11.920 -2.799 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 -4.379 0.355 2.851 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 7.572 12.125 -0.776 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -10.405 -0.854 -5.948 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 5.585 3.955 3.169 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 7.624 -20.260 -25.984 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 7.007 14.142 11.269 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 -1.389 6.690 4.444 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -8.179 20.332 -0.495 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 0.415 9.691 19.123 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -6.919 1.068 3.589 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -33.149 -19.237 -2.264 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 -16.093 2.733 -1.507 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 -2.780 1.546 -4.214 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 -3.962 12.342 14.459 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -5.676 19.352 -9.186 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 -3.386 1.773 4.130 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -9.517 2.902 8.756 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 10.275 -11.468 12.347 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 3.918 -1.355 -1.045 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 -2.582 6.421 13.035 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -10.122 5.841 -0.771 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 -3.299 -0.946 1.575 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 2.970 -7.868 30.687 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 -4.616 0.197 -15.030 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 0.667 5.652 5.326 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 -2.384 3.791 7.016 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 -4.080 1.439 13.527 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -4.799 -0.107 -1.820 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -13.757 2.720 -8.529 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 4.220 8.748 -3.740 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 1.580 9.621 -2.860 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -2.432 13.018 0.625 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 21.150 6.098 12.567 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -9.259 0.467 -1.089 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -13.458 2.550 -7.223 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -12.378 -2.129 -7.299 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 1.579 0.979 2.427 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -10.963 -6.385 -3.791 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 17.621 -19.112 12.091 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 -1.519 -4.708 -2.952 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -8.737 -9.668 6.507 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 7.920 -5.171 7.853 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 1.255 0.636 -0.808 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 7.014 2.137 2.120 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -8.368 9.635 8.057 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 3.938 -5.965 -4.342 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 18.290 -5.311 5.503 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 -14.298 -4.592 6.235 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 -1.611 -2.850 3.118 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 -1.550 -0.929 -12.118 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 -8.331 5.507 2.716 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 4.405 1.230 6.655 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 -0.507 -0.391 4.954 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 2.881 2.401 9.865 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 5.355 9.365 1.811 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 2.754 -1.936 -3.164 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -33.674 -8.392 2.827 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 1.287 0.756 1.787 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 -7.683 4.819 -8.542 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 4.494 3.670 15.509 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -1.474 6.180 0.046 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -1.666 -23.010 -1.761 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 0.517 7.578 -6.500 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -1.182 -3.739 0.629 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -14.720 20.688 8.442 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 10.743 16.186 -4.801 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 0.922 -6.174 0.217 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 17.867 -14.831 11.327 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 4.332 -16.156 -16.070 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 11.144 4.589 1.914 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 25.862 -2.985 -7.721 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 25.746 17.832 9.676 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 5.384 3.640 0.404 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 23.540 -15.015 -7.703 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 -7.239 8.655 0.563 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 1.051 -2.329 0.144 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 -4.704 -8.762 -13.242 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 6.912 15.186 -2.677 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 3.911 3.712 -3.034 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -16.262 10.973 32.762 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 -5.443 11.391 -17.735 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -5.251 5.703 2.215 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 16.082 -0.833 -11.350 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 12.997 -0.589 -12.297 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 5.831 2.281 1.806 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 7.882 4.847 6.013 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 6.894 3.390 3.315 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 -1.452 8.193 -6.873 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 3.900 3.609 -9.099 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 7.828 -0.879 -10.485 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -5.434 -1.999 1.903 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -8.862 8.478 9.938 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 20.347 -14.677 -8.487 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 4.695 -2.847 -11.055 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 8.559 -10.060 0.574 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 -7.520 -4.373 -7.262 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 3.263 3.086 -0.439 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 1.777 3.155 -5.236 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 9.924 10.010 0.967 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 3.535 -4.162 6.633 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 19.363 -11.972 8.704 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -4.451 16.018 14.542 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 0.936 3.405 -3.035 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 5.419 8.873 11.737 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 9.018 10.347 -20.141 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 7.519 5.822 3.123 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 17.738 12.142 -8.777 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 2.410 2.530 9.840 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 -2.450 -2.252 -3.326 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 17.366 14.426 -2.663 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 1.268 -2.665 8.272 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -1.942 -0.327 -0.718 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 9.755 -6.649 -1.566 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 1.010 0.167 -4.895 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 6.907 -0.565 3.195 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -10.077 -9.006 -2.122 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 12.007 -17.348 19.162 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 0.231 3.027 -5.391 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 4.684 4.999 -2.470 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -7.291 12.994 -8.144 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 1.716 2.206 -2.147 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 -6.016 0.551 -8.369 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 24.527 9.264 -7.588 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -1.452 -1.108 4.987 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -1.413 -1.504 5.007 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 9.616 -5.613 25.407 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -0.929 4.052 0.810 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 10.393 24.245 -0.357 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 -3.354 -19.098 3.286 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 3.802 -5.767 -2.306 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 16.700 1.146 12.502 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 5.084 -34.470 -1.921 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 -4.141 -6.713 -2.686 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 -27.695 -3.723 -4.337 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 -22.026 -5.253 -2.502 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 0.102 -0.990 6.638 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -12.357 -6.343 -9.595 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 1.641 7.471 -2.936 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 -2.368 -0.247 3.876 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -6.177 9.157 14.243 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -12.853 1.875 -5.685 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 -7.584 2.546 1.710 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 23.184 -9.320 24.879 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 0.752 23.563 12.168 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -0.501 -0.078 -11.055 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -5.636 -0.109 -18.245 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 -6.514 -12.170 -6.638 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 7.604 -2.526 -0.736 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 26.620 -7.639 4.313 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 12.037 -3.998 0.774 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 -1.345 -1.986 -1.383 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -31.523 10.938 -4.317 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 9.123 3.241 -16.126 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -4.879 -7.610 -0.344 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 9.722 13.498 8.748 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 -17.030 0.213 -5.140 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 6.304 1.963 -5.864 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -2.126 -16.926 6.857 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 -14.064 29.003 -10.925 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 -5.706 -5.383 1.923 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 14.751 -13.336 7.915 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 0.921 -9.990 -0.643 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -0.418 1.777 0.510 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 -12.279 -10.062 12.813 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 2.079 11.256 -7.986 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 -5.046 -3.500 1.014 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 5.506 -12.447 -16.136 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 -15.033 -12.035 11.793 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 13.524 0.064 1.662 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -1.632 18.094 6.257 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 6.895 -15.900 14.655 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 4.736 -0.943 2.765 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -7.084 5.879 -9.964 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 7.774 -8.396 10.327 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 7.769 -2.820 4.222 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 7.093 -7.055 16.268 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 0.437 -8.352 7.161 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 0.348 -4.720 0.540 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 -5.519 -5.128 0.524 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 5.157 -4.208 0.354 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 5.122 2.705 -2.937 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 3.576 -0.382 -6.179 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 8.870 2.831 -8.752 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 -5.653 -1.165 -3.682 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 6.928 3.773 1.637 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 4.236 6.627 -25.257 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -5.637 0.475 2.596 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 -14.429 -3.114 -5.929 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 -3.736 4.300 0.067 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 2.792 1.526 -5.923 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -3.285 5.426 12.775 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 9.927 7.295 -2.438 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 8.441 -5.830 6.280 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 12.987 -15.539 -16.407 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 7.952 24.965 -20.893 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -1.807 4.796 2.796 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 -5.664 -3.030 -17.482 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 11.159 -7.043 17.986 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 -4.680 0.724 6.252 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 -26.783 32.268 9.788 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 12.951 -11.990 -32.888 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -1.315 1.350 1.409 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 1.636 -4.493 -10.588 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -1.427 10.444 -4.910 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 1.226 2.613 6.987 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 24.073 8.349 -3.792 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 9.405 4.504 6.957 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -2.383 -3.301 1.312 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 30.713 2.432 -5.859 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 -6.644 -10.860 2.647 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 -3.959 -0.877 -6.452 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 -0.925 -3.622 -17.876 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 -0.717 -1.759 -8.933 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 2.060 -7.675 -0.889 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 7.321 6.639 0.633 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -5.793 -18.564 0.591 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -10.067 -5.189 -1.683 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 -27.087 -4.816 -2.149 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -5.082 8.939 -2.722 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 8.748 -3.258 7.769 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -8.386 -1.069 6.608 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -3.997 -32.237 -23.493 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -6.120 -1.188 2.284 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 3.082 -2.958 -8.728 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 4.046 9.717 -2.685 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -9.691 -2.564 4.356 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 -5.978 11.558 -14.016 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -7.846 -2.407 -23.536 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -4.726 4.508 4.619 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 5.921 -0.069 20.483 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 -13.751 -12.712 -1.331 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 7.571 0.493 2.029 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 4.456 8.724 -1.184 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 -3.021 4.432 19.907 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 -2.973 5.245 -2.408 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 -9.266 15.728 -4.597 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 6.894 -21.893 2.183 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 11.212 5.302 1.571 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 -10.515 12.793 27.054 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -8.436 6.459 -0.791 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 5.322 -8.651 -0.999 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 -25.885 -13.356 12.170 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 21.709 -18.161 -12.277 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 -8.421 -0.257 -1.668 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 -4.876 8.621 -0.252 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 -4.499 9.836 2.068 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 2.537 -0.227 -3.648 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -1.546 -10.028 -5.275 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 6.566 2.139 -8.337 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 -2.814 -4.352 -1.335 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -13.817 -3.561 -11.216 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 -15.172 -17.642 -9.319 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -0.526 1.322 3.160 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 12.324 -32.698 -8.654 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 6.375 -24.469 -2.264 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 -11.898 3.235 0.817 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 20.499 -8.189 2.201 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 2.192 8.839 -5.382 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 -3.610 0.545 4.788 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 15.758 -1.904 3.964 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 6.606 -6.422 0.269 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 2.473 -4.534 -3.928 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 10.729 -21.796 -11.806 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 1.011 1.297 -9.980 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 8.884 -4.443 1.159 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 -4.697 -8.802 16.897 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 22.307 -6.325 3.045 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 -7.340 -1.048 -1.731 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -18.717 16.468 -5.183 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 6.304 7.340 -14.235 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 4.849 -1.834 4.996 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 -17.625 -16.128 0.879 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 14.755 1.037 -16.785 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 6.387 10.737 -1.001 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 12.882 -25.209 10.352 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -0.179 0.280 -5.780 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 5.409 -3.450 6.891 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 2.343 -0.676 14.827 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 9.313 -1.621 5.892 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 1.758 1.722 -6.499 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 5.402 0.297 -15.355 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 5.005 33.925 10.553 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -2.681 -0.740 -2.078 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -5.463 -3.341 -4.955 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 -7.994 -2.601 0.436 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 -1.738 -1.973 -1.121 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 4.894 -8.423 13.021 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 -1.557 6.090 -4.923 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 -1.462 3.141 3.613 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 6.929 11.380 14.667 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 3.718 7.568 -20.783 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 3.087 0.114 2.083 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 21.875 15.937 -4.254 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 12.197 -21.130 -4.535 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 2.840 1.210 1.511 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 3.894 18.757 3.507 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 2.223 -4.385 1.080 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 1.564 0.574 -1.570 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -3.699 -4.841 2.813 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -1.782 9.490 -0.322 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 4.781 -5.178 -0.749 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 -15.753 1.731 1.598 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 -5.505 -15.859 35.227 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 -1.606 -1.457 -1.523 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 -14.497 -7.470 20.911 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 2.807 1.918 -17.276 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 3.276 -2.064 -2.854 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 4.518 15.408 3.221 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 2.210 34.339 5.441 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 2.632 -0.445 4.955 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 7.105 5.468 5.466 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 -3.712 -5.591 14.006 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -2.089 -0.486 1.998 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -2.300 5.218 5.340 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 4.988 -4.022 5.274 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 2.538 2.718 7.047 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 10.220 -4.444 -16.262 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 16.751 -7.903 -3.210 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -0.365 2.037 4.068 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -23.453 16.241 9.412 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 7.819 -14.791 -12.198 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 0.424 -9.861 -0.730 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -20.378 -7.120 14.811 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -5.786 -1.703 -14.538 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 -4.903 -0.735 -5.033 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 -7.113 3.416 -4.107 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 -6.448 -3.359 -2.291 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 4.396 -9.961 -4.325 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 3.224 -6.184 -8.588 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -7.177 6.269 3.731 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 -1.120 -7.440 4.786 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -6.721 -16.251 -5.072 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -9.569 3.212 3.674 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 2.527 -2.936 5.390 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 8.401 4.161 8.957 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 9.963 -4.524 6.864 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 0.802 1.396 4.508 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 10.627 6.151 15.835 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 -7.052 -2.298 -8.227 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 0.765 -3.002 3.731 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -10.046 -18.271 12.753 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -1.782 7.732 -3.565 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 4.404 0.225 -5.266 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 17.574 6.282 -3.285 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 5.556 0.123 -5.470 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -5.479 -2.191 -0.564 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 4.583 -20.669 1.278 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -21.177 -11.917 7.403 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 0.613 -1.149 -4.541 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 16.936 7.964 10.617 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 -1.200 2.589 -2.740 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 2.883 1.861 0.953 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 -2.176 0.647 14.979 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 7.395 3.638 -14.913 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 2.110 0.721 -7.325 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 1.785 -16.084 1.664 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -5.472 16.336 -13.205 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 7.672 -4.565 1.166 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 11.179 -6.551 6.715 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 25.114 -2.415 -0.781 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 2.561 -1.598 6.726 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 14.815 -7.814 -18.092 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 -3.521 0.082 1.310 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 -3.091 3.302 -1.971 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 6.597 0.608 -9.163 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 -0.265 9.388 -7.991 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 -1.253 -2.855 -2.001 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -2.993 13.726 9.366 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -1.326 -14.409 -10.621 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 3.967 0.258 0.772 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 6.676 14.989 -14.058 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -11.692 7.640 -1.926 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 -5.157 -6.339 -6.835 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 -6.018 -1.164 5.938 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 -3.468 -10.689 -6.614 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -6.979 -1.866 0.196 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 -19.782 9.814 15.955 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -3.330 9.504 -0.507 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 5.161 1.117 3.605 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -14.419 4.423 13.943 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 18.742 -27.853 -21.573 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 4.056 1.236 -1.107 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 6.780 -5.556 6.672 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 3.687 -1.435 -1.840 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -4.049 -0.117 4.626 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 -4.294 18.606 -14.792 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -15.440 -2.767 3.861 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 3.464 0.382 -5.004 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 3.259 -0.978 -4.480 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 -23.045 11.483 -1.477 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -0.680 3.729 0.698 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 1.758 31.639 19.735 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 4.457 1.521 9.797 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 -8.208 3.346 8.113 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -29.469 -10.307 -13.222 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 10.563 -5.834 11.547 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 0.557 -5.653 -2.742 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 -12.521 9.144 -7.514 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 6.906 -12.986 -2.624 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 -1.347 1.255 -0.265 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -6.170 -5.715 11.254 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 -5.495 -6.002 15.886 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 3.836 -2.054 4.450 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 32.843 9.241 14.147 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 11.995 3.359 20.869 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 -0.505 -1.170 -4.788 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 -10.520 -8.898 -6.832 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -1.524 -20.583 12.052 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -7.661 3.140 -3.700 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -8.804 -32.345 -0.012 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -16.357 -14.513 9.328 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 1.301 0.289 0.035 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -8.379 -4.727 -6.826 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 -28.100 -27.663 -25.971 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 -4.874 -1.135 9.741 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 -12.292 -13.362 -2.891 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 17.126 11.982 -11.690 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -3.084 1.760 9.757 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 8.167 -18.568 -5.625 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -15.782 3.631 -13.336 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -6.778 -0.600 -7.170 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 5.720 -0.312 -4.869 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 30.318 0.335 5.066 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 0.577 7.217 3.072 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 1.471 9.976 1.537 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 0.904 -2.748 5.306 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 0.234 3.947 2.782 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 0.680 2.869 -0.033 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 -0.397 5.357 7.821 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 -5.725 -1.233 -4.224 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 -17.505 13.221 4.005 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 1.330 -16.403 -14.967 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 5.267 -5.509 -5.043 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 6.605 10.138 -2.567 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 16.365 -3.694 -5.494 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 1.806 -0.832 -0.020 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 7.224 -0.597 11.212 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 7.185 8.004 -5.963 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 5.714 2.739 4.371 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -9.760 24.780 -25.827 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 6.251 12.305 8.866 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 -6.391 1.877 0.008 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 -14.238 7.237 11.500 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 12.640 0.083 9.403 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 7.127 1.353 2.458 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 -1.942 -7.323 6.071 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 9.373 7.262 8.685 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 -2.030 2.332 2.039 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 13.967 -17.649 -9.167 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -21.621 15.638 -6.104 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -2.800 -6.048 3.197 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 9.286 -8.336 -17.101 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 20.302 0.821 14.145 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 -1.532 6.798 -1.643 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 0.237 4.261 0.744 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 2.330 0.560 -4.545 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 3.229 1.438 2.314 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 -5.126 0.396 0.627 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 6.235 -1.348 -3.066 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -5.256 -3.096 0.396 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 5.493 2.618 39.155 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 -8.052 -4.186 -4.094 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 -1.382 0.224 -3.800 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 1.380 2.588 -1.479 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -0.735 15.857 -8.383 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -6.009 -1.868 -2.655 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 6.554 16.875 -30.416 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -18.980 13.194 -12.984 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 1.560 4.449 0.152 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 7.508 10.735 0.505 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -2.394 0.146 -7.782 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -1.510 -1.396 -1.440 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 9.182 19.817 -16.748 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 18.585 15.660 0.262 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -1.216 1.112 -4.275 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 4.212 12.543 2.834 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -22.202 -27.461 3.605 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 7.093 0.659 -3.458 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 22.477 30.960 -6.268 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 24.790 4.050 -16.055 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -0.682 -2.758 -7.707 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -17.390 2.420 -22.445 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 2.579 -17.047 12.001 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 -0.375 5.089 2.181 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 8.899 1.681 19.815 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -3.794 3.544 -3.878 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 -5.706 7.947 1.118 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -15.558 25.514 2.670 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -5.387 10.954 3.091 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -5.710 -0.217 0.878 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 -1.132 -8.977 13.254 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 -3.731 19.382 -33.441 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 -6.574 1.824 -3.268 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -2.012 -3.913 1.980 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -0.422 8.729 7.184 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 -0.016 4.547 -3.565 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -8.499 9.589 19.316 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -11.147 0.177 -17.921 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 1.941 2.003 3.641 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 9.562 13.616 14.192 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 1.776 4.273 -4.794 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 -0.710 -1.086 4.983 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 2.208 -6.260 15.405 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 4.405 10.114 5.138 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 4.266 6.636 6.731 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 4.729 -8.460 8.161 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -9.508 0.213 -12.307 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 -5.046 1.273 3.532 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 -2.360 -17.785 5.386 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -16.271 -4.621 -3.995 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 -4.248 0.135 -2.105 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 16.772 3.012 4.532 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -20.377 -3.226 4.831 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 -3.536 -3.179 -4.309 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 -12.233 -21.620 8.916 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 0.366 -6.579 -7.857 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 0.247 0.019 0.815 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 -3.213 -3.393 7.767 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 4.513 1.298 -10.157 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 2.775 7.220 -0.879 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 8.766 -28.058 -26.306 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 3.254 4.908 16.499 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 -4.110 1.624 -0.398 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 -23.971 -8.481 -14.461 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 -6.111 -4.524 -0.052 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 0.209 -4.357 -2.485 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -14.776 12.437 -7.178 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -3.160 -22.299 -8.896 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 3.343 -2.540 5.697 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 6.979 8.527 6.976 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 -31.285 7.664 3.741 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 0.472 0.248 2.649 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 6.807 11.755 -22.310 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 1.010 -26.546 1.034 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 1.253 -2.879 0.616 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -7.348 -14.313 3.533 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 -11.498 -3.664 -5.812 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 0.432 -5.154 -4.017 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 16.307 20.564 -7.878 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 -23.394 -11.930 24.655 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 2.161 3.157 2.721 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 15.843 -14.441 -15.068 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 0.647 -17.350 -12.211 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 11.987 -3.937 -4.865 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 1.018 -23.341 -9.245 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 5.166 11.682 -3.466 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 5.977 -4.544 -3.837 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 4.062 1.141 -17.300 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -8.134 5.245 5.919 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 -1.393 -1.288 4.873 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 8.937 19.461 16.333 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 -16.053 -2.842 16.901 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 6.490 1.133 -2.799 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 9.578 -9.720 -2.336 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 6.611 -1.562 -4.014 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 7.739 -2.407 -2.195 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 37.209 2.726 2.528 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 -23.693 -5.347 20.688 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 1.532 1.410 1.773 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 -3.597 0.822 -1.463 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 -0.924 -5.250 -0.183 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 3.693 -2.589 -3.263 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 -2.360 7.644 -5.683 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 -3.901 -6.877 -9.506 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 -0.211 0.479 4.784 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 16.822 9.391 -6.363 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 25.347 7.266 2.058 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 -0.150 -3.666 1.000 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 2.761 4.103 9.253 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 -2.163 -8.550 20.385 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 0.406 2.607 -5.459 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 10.084 -8.002 -6.940 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 4.461 8.962 6.995 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -0.883 -0.187 3.822 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 0.884 -13.965 9.290 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -1.856 19.164 -12.698 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -1.541 8.105 2.040 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 3.000 -6.515 -1.872 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 8.172 -2.080 1.899 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 4.047 7.282 -5.930 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 4.773 20.809 -11.275 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 7.682 1.162 -11.161 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 2.405 -11.072 -4.077 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 -5.274 1.378 -8.491 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 15.302 5.738 5.371 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -4.387 2.535 -0.482 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 -1.447 -0.559 8.589 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 9.786 22.818 9.200 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 3.094 5.819 0.569 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -1.451 7.268 7.806 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 9.440 -1.690 8.657 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -1.685 -3.141 4.681 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -13.077 -0.877 0.041 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -2.105 1.969 17.073 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 -6.612 -1.814 -2.290 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 -7.682 -12.390 -1.180 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -20.043 -5.407 15.822 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 2.579 -3.655 11.302 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 2.725 -18.159 7.973 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 -10.361 -3.986 4.691 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 2.947 0.715 7.778 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 -10.232 27.981 26.060 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 -22.534 -9.814 21.874 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 7.261 6.727 6.535 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 -10.411 9.372 3.075 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 7.204 -22.765 3.382 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 1.505 5.073 -1.091 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -4.097 7.340 -15.787 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -2.712 6.911 24.227 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 2.596 -1.430 4.174 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 -28.463 9.816 3.854 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 11.953 5.545 6.466 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -5.334 -1.567 1.245 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 -6.220 -22.397 -1.498 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 7.038 -8.332 4.156 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 2.779 0.353 -4.357 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 -11.841 -10.825 8.028 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 -13.326 9.662 -17.216 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 5.182 -7.939 -0.616 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 4.448 -20.223 -4.087 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 24.859 -11.524 13.581 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 6.024 1.427 5.795 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 8.524 -9.684 0.234 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 0.788 6.286 4.001 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 0.614 0.278 4.026 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 1.425 12.820 3.680 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 3.052 3.994 -7.092 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 3.896 10.249 0.732 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -0.618 15.125 4.843 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 -2.336 10.843 -10.109 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 -0.077 -8.338 7.997 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 -14.357 -12.313 15.059 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 -2.266 1.481 9.661 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -5.680 3.468 2.741 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 10.345 19.545 -8.267 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 -26.823 -36.920 17.357 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 5.569 2.067 6.294 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 -10.809 -6.229 -2.313 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 14.620 -14.602 -2.768 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -1.589 3.951 9.962 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 7.210 24.094 7.309 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 3.796 9.505 -13.994 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -2.820 -4.281 -4.003 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -11.230 -12.979 -20.141 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 25.024 3.533 7.932 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 -8.318 4.232 1.423 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 -3.997 -6.502 12.014 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 -7.422 10.347 -2.482 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 -2.682 -4.076 4.316 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 0.700 0.153 -4.573 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -1.511 -4.279 -15.445 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -0.474 3.063 -4.205 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 9.016 6.016 -4.681 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 -3.679 1.994 -11.773 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 4.648 -5.525 0.897 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -11.870 -18.637 8.938 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -5.321 9.670 -5.410 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 6.594 3.733 -3.775 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 -0.129 18.326 -2.394 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 -3.646 -3.131 -0.972 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 5.777 1.217 5.518 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 8.420 7.600 -8.483 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 16.615 28.938 -36.655 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 -5.215 -0.971 -3.640 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -19.852 -7.688 4.248 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 1.834 17.976 -13.532 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 1.605 3.202 -7.811 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 1.508 3.826 -14.512 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 8.157 -0.200 -9.639 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 -4.782 1.902 0.740 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 3.727 6.985 5.710 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -12.659 3.460 8.246 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 1.461 1.437 -0.758 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 -9.178 22.003 40.252 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 6.728 -11.575 -25.755 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 -3.199 0.354 -5.534 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 22.202 -5.894 19.669 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 30.749 -4.545 24.439 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 -2.493 0.965 0.192 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 13.676 13.230 14.814 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -7.734 7.644 11.948 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 3.170 3.333 -5.120 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 22.325 25.759 -1.729 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 -14.582 -12.666 26.716 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 -0.193 2.562 -0.967 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -8.117 12.006 3.541 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 3.555 -10.658 -14.761 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 2.764 5.780 1.257 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 7.220 7.319 -2.448 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 -3.930 -3.931 2.150 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 0.386 0.988 1.647 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -6.424 0.995 -18.181 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 14.462 29.437 9.423 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 4.852 6.007 3.658 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -2.096 -6.359 14.539 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 26.873 16.886 -10.121 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 2.649 -1.957 0.175 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 8.063 -5.645 4.711 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 5.076 0.921 10.127 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -0.849 5.177 -0.422 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 0.414 7.737 -4.571 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -16.894 6.044 17.713 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 1.686 4.425 0.380 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 28.491 23.516 3.644 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 6.481 11.445 19.468 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 0.709 0.052 -7.112 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -3.580 11.827 -3.877 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -1.091 -6.153 -11.320 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 3.104 2.063 -3.342 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 5.714 11.882 31.957 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 5.249 8.617 0.877 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 0.719 1.757 10.414 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 1.022 -2.919 -9.219 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 1.208 16.858 -9.098 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 -3.043 5.050 -3.134 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -9.943 6.011 16.388 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -15.263 0.190 -3.221 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 -0.087 3.686 2.690 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 0.739 2.217 -4.220 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 -3.312 -1.227 -2.165 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 -4.064 3.429 -3.993 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 4.139 12.385 -3.828 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 -22.613 -22.939 -3.334 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 -6.308 -1.407 -7.968 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 -8.084 15.733 -16.053 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 -22.521 -3.202 2.763 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -8.378 1.360 4.860 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -19.855 2.700 12.505 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 -12.377 -3.574 -7.325 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 2.018 -2.697 4.595 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -22.993 2.374 10.285 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 4.901 14.428 23.003 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 -2.186 -6.255 2.563 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -12.469 -1.292 -0.949 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 4.780 -3.874 2.424 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 8.712 2.197 5.250 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -8.302 -5.931 -1.326 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 8.068 -3.226 11.102 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 2.014 -4.767 4.157 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 -5.319 3.074 -4.947 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -2.302 -4.477 -0.983 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -0.223 0.439 3.452 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 -1.191 -8.793 -5.391 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -1.961 0.501 2.597 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 5.133 -3.475 4.090 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 9.265 1.960 18.341 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 7.510 7.428 -2.532 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 1.015 -0.756 3.898 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 -11.383 6.468 3.083 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 -2.390 0.925 4.758 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 6.323 -0.907 2.677 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 4.032 -7.051 22.883 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 -0.947 -1.237 -15.950 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -3.611 3.930 0.962 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -3.710 -18.670 15.826 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -20.202 -2.677 -12.022 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -0.786 -0.528 -1.074 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 4.575 20.411 27.016 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 -9.111 8.159 7.520 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -0.223 7.005 2.163 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 18.712 -2.982 3.598 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -20.326 -1.234 -11.037 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 -1.581 -2.785 -6.711 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -22.081 -5.294 9.589 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 -1.124 -17.327 -13.595 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 -1.621 6.274 -1.762 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 -9.001 -11.310 25.647 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 -2.735 26.878 -19.305 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -2.605 -2.218 -5.619 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 -9.024 -13.586 -5.616 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 -9.385 7.427 -8.344 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -1.237 0.848 -1.973 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 -11.716 7.894 -10.858 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -3.362 3.824 -3.433 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 -8.456 7.087 -4.071 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 2.026 -5.026 9.330 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -17.697 3.635 -12.019 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 -0.018 6.498 -5.841 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -13.115 1.220 4.240 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 -3.478 3.606 6.802 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 4.144 9.197 -1.925 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 4.141 3.345 -9.702 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 2.088 6.499 3.661 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -3.965 -2.245 2.775 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 -9.327 35.959 -21.671 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 -5.220 -5.193 6.802 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 6.732 -1.254 -1.902 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 16.270 -3.966 -12.550 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 -5.297 1.514 9.392 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 0.756 3.544 2.094 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 13.433 -13.944 -10.884 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 11.265 4.931 3.362 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -1.851 5.169 7.347 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 3.998 9.124 11.713 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 -5.439 -9.261 -4.111 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 -0.056 1.702 0.108 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -18.259 -0.341 -0.507 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 -12.361 7.054 -2.314 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 1.993 2.051 -3.790 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 8.875 14.077 -9.163 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 -13.264 -10.286 21.908 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 4.692 5.230 6.314 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -17.255 9.523 8.908 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -20.018 -25.182 -7.071 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 2.786 2.673 9.013 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 2.054 2.599 7.560 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 1.033 2.409 6.268 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -4.478 1.051 -8.947 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 1.921 -8.498 -1.334 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 1.935 4.304 8.523 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 1.174 -10.293 6.059 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 0.355 -15.515 10.999 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 -0.541 -8.120 6.085 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 -2.246 -4.471 -8.417 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 9.423 10.461 -3.150 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 2.990 -21.361 12.732 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 -2.204 2.838 2.426 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 -17.534 4.831 -2.032 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -7.398 3.478 3.685 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 3.069 1.469 -6.748 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 1.180 -0.307 -9.087 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 -5.752 -2.709 3.945 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 9.120 -0.473 -5.050 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 -7.830 -2.295 -3.719 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 -6.297 -4.373 -1.674 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -1.171 4.241 -2.948 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 26.747 31.262 -1.448 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 0.288 1.829 -17.222 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 4.432 0.028 8.321 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 -5.916 21.567 5.848 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 19.584 5.130 -8.507 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 0.920 -4.673 -2.379 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 16.489 -12.296 18.179 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -6.140 25.632 2.524 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 0.853 0.054 -6.227 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -0.639 -15.310 -5.441 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 2.144 11.300 -18.955 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 -0.607 -1.447 3.156 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 0.200 7.158 -7.735 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 -1.612 -0.978 0.991 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 3.548 4.312 -4.299 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 3.511 8.744 10.617 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 -6.129 -0.820 -13.135 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 0.986 -0.598 3.136 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -7.945 3.076 9.000 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 -0.423 2.946 -4.366 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -2.286 1.102 1.401 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 -25.724 -18.262 16.688 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 -30.826 14.223 -21.922 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 1.819 1.096 -2.349 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 0.614 -2.395 -3.920 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 12.915 30.290 13.871 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -4.661 -2.169 -5.605 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 0.462 -2.997 -9.545 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -16.483 3.910 0.906 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -5.958 7.344 -1.487 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 -23.174 13.316 8.839 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 19.726 8.220 -14.069 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -6.940 0.335 -3.484 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 0.186 9.230 -11.025 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 2.263 9.735 -17.151 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 3.330 4.620 1.872 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -10.344 6.133 8.933 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 -10.592 4.249 10.689 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 -4.009 3.959 -4.929 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -11.038 2.660 -4.691 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 0.223 8.880 5.947 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -0.265 -2.473 -1.156 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 6.497 -7.673 0.127 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -16.804 13.890 21.816 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -1.753 -1.763 5.057 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 12.510 -7.083 11.573 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 -14.279 -17.448 -2.793 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 -0.752 -1.438 -2.012 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 9.379 9.044 -4.512 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 -15.279 7.926 -6.537 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 -1.572 -0.250 5.468 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 -2.372 7.131 18.801 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 -0.355 -3.971 4.421 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 6.785 -3.725 -1.728 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 3.936 -12.030 -17.301 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -11.566 -4.211 8.341 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 1.354 2.397 5.987 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -13.924 -15.345 16.331 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 8.916 -7.505 -13.370 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 1.205 2.846 6.932 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -13.715 -15.375 -10.499 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 5.449 16.218 27.395 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -1.181 -0.913 7.561 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -15.033 16.372 -30.892 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 11.399 -0.407 5.838 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -2.701 -4.906 2.384 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 4.471 -7.689 6.925 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 -6.183 2.606 5.153 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 0.116 1.018 5.785 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 -6.182 -26.246 11.507 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -1.862 -5.825 -6.606 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -6.074 2.287 -2.289 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 -10.130 23.308 -12.584 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 -1.900 -20.840 0.833 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 4.157 -4.915 1.973 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 13.071 -14.758 18.922 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 7.213 -1.287 -10.083 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 3.716 3.036 0.398 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 -15.585 17.405 7.298 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 11.228 -10.038 0.576 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 2.331 3.767 -3.406 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -5.547 17.013 2.339 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 -8.283 -3.125 -14.547 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -2.093 1.090 7.412 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 14.097 11.536 -6.655 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 1.287 7.448 17.825 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 2.800 -5.565 -5.310 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -7.354 -10.402 7.707 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 -2.103 17.502 -6.578 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 6.085 1.519 -0.769 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 6.841 -8.581 4.944 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 16.983 4.465 0.636 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 -6.640 -3.616 -2.365 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 2.986 -2.027 -15.433 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 -23.181 -5.845 -23.121 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 3.009 -0.690 -5.705 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 -1.004 -9.848 23.458 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 -13.320 -20.931 -21.792 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -11.278 -9.812 0.288 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 13.830 -13.749 -4.982 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -21.606 -10.847 -9.432 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -5.863 6.550 -3.855 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -20.717 16.813 -17.592 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 -8.598 -3.654 4.582 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 -0.373 -0.092 -3.046 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 11.833 -8.627 8.288 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -19.218 3.779 -4.882 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -2.534 -0.966 1.777 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -5.234 -5.689 4.412 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 -8.097 10.760 4.341 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -5.144 -6.507 2.139 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 -10.255 -9.158 -0.772 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 25.491 12.402 31.077 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 -1.041 -8.969 -3.255 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 21.806 15.168 -29.648 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 -9.501 13.772 -10.142 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -0.082 2.486 3.949 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -11.361 -9.458 16.692 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -12.740 -5.990 15.765 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 1.086 -0.193 -5.714 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 -1.161 12.278 -3.123 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 7.759 -20.588 14.990 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 -2.950 10.157 -3.335 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 1.222 -2.016 -3.140 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 8.826 -31.547 -1.681 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 5.977 6.053 0.348 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 -20.117 9.816 -9.205 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 -8.020 7.990 -7.262 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 2.114 7.831 2.834 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -2.049 6.630 9.624 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 -0.888 3.226 -2.353 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 1.730 0.666 5.734 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 -2.770 17.525 -6.893 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 3.068 -2.869 8.878 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 0.934 1.973 -0.276 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 -7.114 5.221 -3.786 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -3.404 -6.253 5.385 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -2.930 -2.343 4.035 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 10.616 -11.410 -4.016 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -3.776 -0.215 -2.010 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -2.274 -2.938 -2.527 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 2.778 -6.192 -8.078 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 -4.902 -8.613 -0.545 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 6.546 6.797 1.569 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 -5.685 -11.780 4.371 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 8.208 -4.384 -34.428 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 -4.036 -6.028 -2.903 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -2.316 -9.236 -5.058 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -5.707 -18.050 -1.569 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -2.854 -1.610 3.090 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 2.488 10.727 -1.267 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -21.828 14.619 8.809 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 -3.189 3.396 -1.096 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 1.927 4.539 0.878 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -1.013 1.002 0.039 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -11.398 -2.737 0.102 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -14.897 17.218 23.846 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 9.134 -15.028 7.485 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -5.093 -8.158 -6.395 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 0.867 -12.327 -1.561 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 3.176 -14.174 22.271 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -2.635 -4.998 -2.061 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -3.222 -4.287 -4.598 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 -1.855 -2.736 12.381 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 -5.215 -0.359 -1.907 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 5.134 10.622 -0.148 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 -4.319 -14.573 -3.972 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 7.942 -1.622 4.542 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 -8.517 1.426 5.231 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -6.803 -32.280 -28.681 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 2.994 -6.753 -1.161 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 5.924 -10.159 -0.244 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 3.962 0.024 1.201 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 3.671 1.942 0.087 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -0.822 -2.016 9.778 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 -15.446 11.713 -9.075 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 -4.192 -6.734 6.863 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -2.142 3.275 1.834 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 1.764 -6.665 1.296 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 1.475 1.733 -0.857 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 12.379 -4.641 2.542 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 18.798 1.730 2.256 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -3.663 -9.644 2.521 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 -5.330 -10.343 -40.904 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 -12.220 -4.030 6.345 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 5.483 3.297 1.107 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 8.055 12.871 -0.027 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 4.049 12.341 0.646 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 5.014 -3.680 -2.555 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 -8.163 -15.587 -8.110 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -8.501 -4.204 -22.394 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 -4.347 3.088 5.566 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 -8.707 8.209 19.650 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 -17.146 -1.861 4.836 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 0.076 -3.096 -3.148 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 -22.137 -18.156 6.359 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 9.848 7.072 -15.608 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 5.157 0.700 1.205 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 3.470 1.396 9.632 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 9.422 5.094 6.378 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 -0.622 1.339 -8.869 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 -7.500 7.310 2.316 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -8.658 -1.977 -3.320 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 9.031 -7.889 3.620 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 12.865 2.406 -3.610 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 -17.702 3.269 0.322 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 -5.053 3.236 0.699 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 8.858 10.734 9.388 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -5.613 15.798 -2.184 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -3.457 -3.075 -4.717 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -9.359 -11.999 -4.054 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 2.747 -0.019 -7.802 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 -6.631 8.887 1.486 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -0.232 15.256 15.380 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 16.623 26.018 16.339 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 9.944 -0.019 -1.206 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 17.629 -32.273 14.477 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 19.651 -31.127 12.355 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 5.885 0.966 2.859 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -9.050 -6.206 -10.313 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 8.803 -1.775 -10.073 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 0.397 0.132 2.701 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 14.329 -10.582 7.425 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 8.692 -15.452 -0.275 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 1.309 1.041 1.472 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 7.521 -27.466 1.190 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 4.161 -1.998 18.110 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -1.161 -0.802 -5.190 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 8.371 5.601 -21.123 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 1.580 1.198 6.176 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 -0.932 -1.315 0.108 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -4.718 -6.572 -5.163 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -2.640 -0.213 -0.697 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 -2.699 -0.047 -0.250 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 2.920 -12.527 -6.146 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 16.989 6.013 3.575 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 -0.050 -3.612 -2.981 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 -20.440 5.609 4.024 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 -5.040 -5.966 0.937 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 3.977 -6.360 2.595 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -5.493 -7.625 4.662 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 5.652 -10.491 -6.787 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 3.770 -5.628 -9.467 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 -3.356 -18.638 -5.751 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 3.919 -0.792 3.272 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 2.005 -8.587 -2.089 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -2.085 10.637 -12.885 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -11.357 -27.268 4.161 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 1.913 -0.503 -3.170 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 -0.136 -4.965 17.592 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 8.310 -5.217 10.105 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -7.074 -2.595 0.265 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -12.918 -12.122 -8.483 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 6.190 -4.590 2.825 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 3.742 7.538 -3.305 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 -9.449 -3.132 -9.075 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 14.605 21.245 -8.141 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 -4.068 5.064 0.929 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -3.190 1.193 9.522 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -3.738 8.847 -5.239 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -1.152 0.260 3.692 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -6.874 -7.324 4.817 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 -5.614 1.313 5.664 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 1.733 2.591 -2.584 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 3.314 6.305 -4.682 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -16.091 -5.590 -12.642 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 -3.947 -0.911 -1.425 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -14.773 -10.902 -3.988 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 -2.600 10.169 11.957 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 -2.361 -1.317 -4.715 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -8.126 13.804 -13.443 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -0.459 -3.152 4.701 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 1.307 -2.356 -3.488 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 15.089 -17.239 8.729 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 14.014 -7.236 -28.720 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -1.595 -2.592 -4.454 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -1.605 1.428 -0.064 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -4.833 0.011 -3.199 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 2.227 1.870 -1.074 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 12.521 2.298 -8.138 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 -5.263 10.626 -11.788 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -1.725 1.975 4.019 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 -5.970 1.101 4.435 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -5.510 -6.284 5.610 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 4.920 -7.586 3.044 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 28.805 -2.875 -23.189 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 16.578 -20.593 26.441 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 -1.500 3.596 0.398 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 5.499 3.077 3.705 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 -6.727 5.049 2.702 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 -1.985 2.671 -6.243 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 2.087 1.092 0.295 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -5.719 -9.948 -10.587 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -3.310 -7.374 -0.134 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -12.099 7.794 -1.074 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -0.041 -11.101 3.331 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 -5.581 -1.130 -6.266 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -12.558 -17.672 -6.667 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -8.387 -1.013 -5.968 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 -0.650 -0.505 -1.783 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 22.087 -2.008 -3.891 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 -2.826 -18.757 -17.489 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -1.334 0.193 9.777 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 -11.093 -8.961 -16.504 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -0.027 14.679 -1.815 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 -1.251 -1.163 3.570 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 9.968 4.711 1.219 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -5.964 -4.294 6.045 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 -2.799 -1.050 2.171 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -15.117 -1.060 6.486 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 -0.646 -3.118 -8.482 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 -4.568 2.082 -0.790 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 -8.924 24.875 23.019 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 -1.832 19.500 -28.850 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 6.549 -5.490 -8.174 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -14.650 -12.061 -9.690 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 -2.230 -1.369 14.810 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 2.382 6.561 7.828 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 9.038 4.783 -0.425 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 16.225 -1.295 -6.586 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 -5.190 -0.491 -2.859 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 26.422 -0.235 -21.288 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 24.194 -3.789 0.029 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 -6.407 1.108 -1.865 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -14.633 -6.118 5.350 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 -2.274 8.811 1.576 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 -4.580 0.728 -6.811 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 -16.877 -21.198 9.503 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -10.453 -8.381 3.209 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 6.322 -6.486 3.847 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 12.063 -19.212 -1.523 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 1.993 -7.463 4.712 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 3.132 -4.716 12.344 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 7.096 2.303 8.464 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 -8.100 7.484 7.653 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 -6.902 12.359 -4.973 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -12.451 7.859 -5.165 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 -6.974 9.144 -7.089 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 -5.984 0.318 -4.585 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 -9.474 -0.139 34.322 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 9.989 -24.634 -5.572 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 4.411 -6.090 0.254 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 -22.318 -2.847 -15.293 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -6.731 -5.229 -10.931 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -2.717 1.479 -5.422 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 -5.073 3.438 -23.916 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 -5.025 -4.569 10.429 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -2.441 0.461 -1.401 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 3.586 -15.476 1.063 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 1.527 -3.286 14.499 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 -4.407 -0.950 -2.038 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 -9.865 -7.954 -1.754 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 15.027 -8.875 5.581 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 -3.183 -9.394 -2.830 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 6.887 -0.579 13.604 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 5.867 -19.424 -13.993 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 0.102 3.897 0.061 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 -11.755 -9.221 -13.050 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 4.425 -7.608 34.016 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 7.152 -0.949 -4.558 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -3.983 6.523 4.378 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -1.223 6.016 5.028 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 5.583 -5.230 4.081 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 11.148 -7.741 -0.035 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 2.901 -13.565 4.381 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 -5.375 7.021 -2.044 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 8.618 8.200 3.766 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 -2.003 1.387 -21.803 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -0.294 -4.934 -0.864 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 -6.687 -7.560 -9.267 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 2.013 -11.021 7.886 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -1.557 1.296 3.300 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -10.856 9.097 5.543 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 8.970 9.864 -1.136 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 -9.222 5.180 0.244 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 -4.898 -0.574 26.462 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 24.293 5.387 -9.231 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -5.236 2.410 3.251 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 -11.298 3.691 -17.113 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 -27.177 -0.599 15.275 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 6.617 -3.315 -5.327 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 14.753 -7.928 -25.409 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 21.490 2.397 -26.253 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 3.014 -2.563 4.711 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 9.422 2.927 12.185 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 7.553 0.343 9.100 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -3.357 1.533 -0.540 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -8.370 -16.409 8.197 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -5.181 -4.362 -0.526 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 2.969 -0.109 -0.350 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 5.641 -13.022 7.488 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 12.988 6.286 4.964 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 11.631 -2.625 -0.046 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 0.706 -1.492 20.529 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 -2.021 -16.398 -17.436 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 1.072 -0.842 1.132 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 1.637 -17.307 -2.089 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 0.284 17.260 7.567 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 -4.543 -4.429 -4.292 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -7.109 -1.219 -7.694 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 -0.083 -11.402 -7.890 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 -0.689 -9.914 0.819 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 -7.444 1.556 -7.740 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -6.884 1.030 -6.375 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 9.057 -3.909 2.519 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 -10.276 5.262 2.004 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 14.529 0.876 1.864 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 -0.465 2.334 7.091 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 4.371 -6.008 6.941 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 16.360 -13.730 6.865 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 5.093 3.845 -0.032 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 3.025 20.997 6.830 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 4.412 -11.968 -1.614 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -0.635 -2.678 0.563 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 20.488 -16.020 -12.599 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 -12.378 5.286 8.599 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 2.498 8.808 4.773 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 6.808 2.798 4.664 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 0.085 8.457 6.692 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -1.267 -6.009 -1.812 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -3.646 0.377 7.294 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -7.733 -11.677 -4.952 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -0.105 -1.426 5.308 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 6.540 13.784 17.060 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 10.712 2.241 4.517 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 -5.887 -11.728 -1.290 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 -6.149 -10.953 1.944 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -7.994 -10.496 -0.524 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 -3.508 -6.549 -1.688 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 -7.850 -8.513 -3.138 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -3.471 -6.467 -1.465 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 3.452 0.429 0.881 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 -4.903 1.277 4.584 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 12.737 7.674 -0.011 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -4.958 -4.944 3.994 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 14.519 26.806 -4.532 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 32.158 31.754 -17.253 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -2.492 0.464 -2.468 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 6.832 -6.091 -8.920 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -16.174 11.782 -3.900 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 2.231 -1.843 4.886 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 5.397 36.576 2.219 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 2.064 -2.489 -24.357 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 0.353 5.141 -2.469 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 -21.681 11.407 -22.790 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 -8.681 -12.035 -1.944 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 -9.460 1.905 3.563 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 -8.533 -0.814 2.837 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -4.145 0.196 4.836 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 0.412 5.032 4.087 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 1.407 -7.671 -11.857 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -12.155 2.233 0.254 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 -4.893 2.511 0.869 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 -12.366 5.855 -13.669 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 -17.423 -8.392 8.154 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 -4.599 0.018 -6.981 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 -5.206 -9.614 -4.801 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 2.789 7.039 -6.955 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 3.280 -1.961 0.463 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 2.510 -3.709 -9.507 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 4.184 -0.088 9.122 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 0.943 -5.849 -5.746 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 8.575 -6.037 6.508 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 10.245 19.870 6.224 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 -0.615 8.125 0.230 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 21.249 -6.101 -21.578 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 4.766 -8.456 -2.768 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 2.466 -7.394 -6.342 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -0.605 -15.331 7.534 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 -3.690 6.457 -1.166 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 -1.004 -2.209 -0.776 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 9.774 -14.015 -12.738 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 9.585 -2.190 0.413 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 6.295 4.267 -0.969 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 -0.647 0.279 8.078 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 6.283 17.317 -5.022 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 4.810 5.316 6.318 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 10.220 14.277 8.849 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -4.398 10.231 -16.455 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 1.935 2.499 2.022 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -7.390 -2.624 2.015 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 33.061 8.621 17.048 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -3.450 2.678 -1.719 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 21.391 5.139 -17.554 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 -34.270 -12.869 3.892 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 -3.567 -5.155 2.861 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 2.393 7.970 -5.912 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -7.577 3.794 17.027 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -2.174 1.456 3.496 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -17.473 5.698 -15.565 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -12.797 4.605 -7.354 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 2.986 -1.871 -6.950 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -4.271 -5.045 -2.396 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 9.362 -19.321 -6.767 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 1.030 2.102 0.562 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 1.097 5.338 -7.228 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -0.611 -1.556 8.507 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 -6.094 8.955 3.105 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 -7.629 -12.228 2.540 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 9.103 12.821 2.015 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 5.056 -0.135 -6.166 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -12.802 5.493 2.218 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -0.620 15.696 9.172 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 -0.011 6.239 -0.993 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 -12.979 -1.172 1.233 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 -0.843 11.752 -16.951 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -0.905 -4.119 0.487 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 22.939 15.188 -5.280 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 10.292 4.789 -1.909 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -7.947 2.490 1.788 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -2.704 3.347 -4.737 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 3.102 -4.255 5.951 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 0.564 -2.428 -4.605 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 -24.271 -7.747 -11.011 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 33.158 -2.578 -12.381 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 -3.955 -4.320 -8.343 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 -10.391 3.744 7.596 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 23.119 17.224 2.702 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 -5.022 -0.668 1.456 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -0.475 15.538 13.923 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 0.108 -17.435 11.461 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 5.214 -0.206 4.604 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 7.228 -2.271 6.762 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 2.240 7.201 -0.184 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 4.422 -0.493 -3.629 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -7.345 -10.279 3.292 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 14.454 -4.433 -0.745 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 1.190 -2.453 -5.479 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 6.398 4.627 -0.358 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 2.266 -0.731 -4.637 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -7.493 -0.801 3.585 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 0.791 -10.915 19.562 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 5.034 16.744 -11.791 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -2.080 -4.357 0.164 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -5.009 -28.739 -6.041 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 -15.573 -25.697 -5.536 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 4.783 2.028 -0.957 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -8.185 7.291 11.770 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 -3.751 -3.971 -5.058 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -2.196 -3.940 -5.250 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 6.435 -18.808 1.430 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -0.737 1.990 -19.683 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 -2.910 4.418 -4.822 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -3.470 -1.085 -3.573 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 -11.935 7.124 16.615 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 -7.745 5.698 -0.796 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 -14.258 -7.225 -29.832 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -15.327 5.351 13.241 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 2.806 -0.835 -3.395 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 4.120 -4.455 3.116 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -3.828 -3.398 -6.437 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 8.721 1.382 7.730 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 5.224 14.223 -3.334 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 12.640 4.710 -11.348 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 1.537 0.121 0.835 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 15.138 -4.363 0.188 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 -13.441 -8.970 23.614 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 -3.580 -3.259 -0.951 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -2.835 -0.766 -2.254 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -14.008 3.310 21.389 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 0.475 -3.167 2.467 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -0.104 5.753 -6.343 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 7.496 -10.548 18.855 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 -3.289 0.082 -1.868 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 5.552 -6.421 3.227 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 3.171 7.661 -0.531 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 -3.946 1.293 -2.037 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 -17.247 27.625 -6.769 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -5.541 8.508 -3.241 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 3.512 0.159 8.278 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 12.671 -20.255 17.030 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 7.762 3.209 -8.798 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 -4.274 -4.207 -3.294 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 6.508 -11.151 -10.345 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 12.028 2.542 24.422 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 -2.985 -5.866 -2.772 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 -29.993 19.301 24.840 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 4.975 -17.384 -14.319 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -2.930 -3.303 -5.019 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 1.090 -5.155 -7.339 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -0.145 -7.330 -13.829 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 1.566 -0.331 1.632 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 1.860 3.468 -1.479 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 -4.788 29.967 1.802 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 1.055 2.262 7.194 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 7.873 4.957 23.494 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 12.047 7.144 7.169 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 4.648 1.247 -4.134 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 13.141 -17.415 18.654 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 2.897 1.252 8.996 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 1.204 -4.199 2.219 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -2.239 12.226 0.302 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 -8.660 4.231 -9.912 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 0.086 -1.027 -6.351 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 -1.538 7.330 -14.877 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -0.844 -2.867 -0.193 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 -8.065 -0.132 -1.955 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 0.237 -2.071 -8.725 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 -22.955 11.897 23.863 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -4.305 3.486 -3.294 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 -2.531 28.872 23.863 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 2.648 -1.942 1.676 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -5.507 1.798 -3.708 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 -10.161 4.141 -5.245 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 15.337 -6.381 -0.708 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 -6.765 3.110 0.801 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -12.976 18.771 4.844 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -15.108 -1.243 2.022 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 7.734 -3.577 -0.006 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 14.124 13.460 -8.896 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 17.063 4.825 5.381 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -3.097 -3.112 -1.741 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -29.186 -2.561 -21.717 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 -15.040 4.720 -6.700 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -2.845 -4.144 -2.300 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -16.526 -1.778 8.247 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 3.430 10.649 -2.132 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -2.909 3.795 1.875 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 1.292 -2.858 -2.218 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 4.461 4.124 6.958 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -0.700 -2.723 -3.686 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 -7.923 -14.607 10.928 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 15.301 39.892 7.700 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 -1.066 -4.784 -2.552 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 -4.612 -24.710 -6.835 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 13.247 6.628 -5.562 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 3.115 -4.973 3.456 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 11.087 -5.343 -0.039 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 -6.803 -17.042 25.233 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -5.577 1.857 3.285 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 -11.973 -10.173 0.535 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 -8.184 -3.685 1.989 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 1.057 6.393 8.208 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 1.647 16.843 13.891 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 7.802 -1.754 13.295 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 5.215 -7.275 -1.972 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 10.290 -8.814 -19.443 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -14.079 -4.896 11.876 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 1.861 -4.275 -9.375 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -20.420 -22.036 -2.875 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 19.167 -7.348 10.432 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 -3.088 0.134 -2.210 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -12.217 -17.320 -0.407 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 11.372 -0.052 1.571 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 4.352 6.975 0.526 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 8.876 -15.320 -9.332 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 4.474 -3.026 -2.066 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -5.002 3.365 -2.411 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 23.299 25.208 -4.581 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 23.437 10.017 7.099 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 1.336 -2.205 -3.047 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 -1.254 18.816 -10.937 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 0.252 -11.754 -4.278 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 1.913 -6.945 -0.510 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 10.618 -6.681 -7.715 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 -11.325 -6.187 12.077 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 0.156 -5.144 -2.455 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 17.186 -8.966 5.555 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 2.815 -13.824 -14.704 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 0.670 -2.350 1.650 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -12.559 -11.890 -10.254 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 -16.980 1.781 11.925 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 -2.667 1.490 0.542 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 5.177 18.438 -24.679 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 4.371 3.540 0.052 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -3.836 -4.807 4.033 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 3.320 -10.003 11.469 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 -2.756 4.250 4.793 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -0.042 7.568 5.772 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -15.211 7.154 25.284 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 -13.811 2.282 1.356 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 0.366 5.965 2.659 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -4.031 16.517 3.779 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 4.585 9.257 -14.510 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 -0.403 3.010 -2.658 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 32.264 18.664 7.794 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 2.377 2.686 29.027 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 2.966 8.097 11.226 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 -3.734 -9.128 19.591 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 17.189 0.716 1.178 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 -2.112 5.423 0.234 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 -2.154 0.524 7.986 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 2.886 22.378 -6.977 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 -6.641 -0.001 -0.622 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 12.194 10.037 5.301 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 11.340 -18.574 -48.698 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 -6.373 1.390 5.781 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 -7.388 2.244 -1.113 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 -13.045 -4.144 11.542 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 4.474 -4.859 -1.244 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 7.186 5.117 -4.412 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 7.211 -5.115 3.883 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -4.298 -3.175 2.127 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -3.123 16.673 9.046 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 16.247 -6.177 -4.882 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 0.547 0.215 -0.593 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 1.913 23.640 -8.893 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 -21.597 -1.755 -8.120 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 0.612 -0.657 0.903 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 22.496 5.869 -12.784 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -4.257 -2.292 5.123 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 1.563 11.590 -1.009 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -13.734 16.391 -16.597 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 10.148 8.846 15.756 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 3.540 -1.793 0.652 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -8.488 -8.459 -11.396 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 12.609 2.433 10.114 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -0.059 -3.395 5.796 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 8.416 3.456 8.560 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -11.872 -14.927 7.695 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 -1.481 -2.700 -1.742 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 9.293 3.310 -23.941 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -11.189 3.000 3.356 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 4.024 5.616 2.166 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 -13.400 -4.887 8.334 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 2.609 7.948 7.280 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 0.165 -3.365 2.694 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 19.424 -17.810 14.958 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -3.191 -0.578 0.515 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -0.923 1.589 1.818 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 6.512 4.131 4.989 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 -22.395 -5.101 -12.697 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 -7.590 4.607 2.084 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 -2.019 6.019 -20.733 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 -35.497 3.423 9.885 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -2.604 2.514 3.824 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -4.962 19.215 -13.152 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -14.183 -13.556 5.252 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 -1.434 3.828 -3.267 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 20.670 -9.940 -16.046 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 -17.094 -21.467 -19.640 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 4.572 0.385 3.209 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 21.138 14.047 13.369 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 -0.284 -7.614 -0.348 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 0.616 -0.776 -0.426 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -14.548 -10.831 8.900 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 5.245 -2.366 6.670 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 -3.790 3.756 -3.760 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 6.902 24.026 24.484 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 -29.173 -0.772 -22.382 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 3.495 -0.116 -5.463 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 4.867 -21.815 -12.004 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -14.165 6.304 -13.990 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 2.183 -5.127 1.482 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 24.960 12.244 19.804 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 -5.885 22.472 -8.508 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -4.881 6.053 -8.411 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 19.209 24.522 8.429 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 -4.855 -2.666 -4.607 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 7.616 -0.258 4.248 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 12.564 8.574 27.860 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 1.853 0.194 -2.368 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -7.719 -2.248 -2.758 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -29.873 3.005 7.607 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 -7.397 -5.915 -9.991 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 -6.978 1.986 1.802 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -3.337 -5.155 -3.731 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -4.406 2.703 1.060 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 6.141 2.857 -6.613 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 0.808 -12.443 4.581 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 -7.125 -5.259 -3.128 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 -2.840 5.323 -2.692 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 -1.729 22.573 -0.379 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 7.709 2.982 -6.526 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 0.731 3.629 -3.684 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 6.187 2.862 19.425 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 3.214 15.919 3.975 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -5.027 1.392 -8.444 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -17.668 0.733 -17.809 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 4.120 -9.631 -15.364 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 -1.519 -0.606 9.109 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 1.871 2.384 -2.424 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 4.557 7.485 -0.614 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 -0.612 -3.238 -8.327 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -11.478 -10.003 5.394 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 15.267 9.359 -25.155 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -5.030 3.216 -3.005 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -7.201 13.040 -0.669 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 0.357 12.358 -0.568 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 3.083 -4.233 -2.454 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -26.430 4.119 -10.313 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 26.887 2.291 -12.021 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 1.435 4.868 0.383 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 0.640 5.851 2.355 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 1.871 2.974 -1.570 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 -0.811 1.248 -4.637 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 26.558 6.415 -9.038 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 35.160 -30.189 3.059 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 4.601 1.338 3.765 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 5.559 1.273 5.937 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 -6.503 2.089 8.568 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -4.944 -5.214 -1.881 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 6.130 6.040 -12.540 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 -9.690 -3.925 9.351 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 -1.367 -5.537 -1.112 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 -11.019 -39.348 18.338 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 39.897 -4.539 -2.472 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 2.195 2.432 -3.629 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 0.035 0.403 -3.219 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 2.191 4.383 2.640 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 -2.492 3.254 -1.061 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 -0.302 6.139 0.150 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 1.717 9.280 0.907 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 1.361 8.060 7.402 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 -8.997 6.289 -1.658 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -3.643 15.638 14.790 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 -10.849 4.660 -0.467 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 -22.880 26.654 1.968 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -1.256 -6.513 -20.321 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 1.359 1.280 7.192 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -10.348 10.949 6.732 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 7.933 -7.011 5.988 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 -0.375 2.301 2.777 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 10.275 10.683 25.378 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -0.198 1.548 4.620 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -5.120 1.292 0.962 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -1.339 -0.673 -1.271 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -11.977 1.957 2.474 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 3.187 3.635 -1.103 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 3.515 4.015 -2.648 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 13.575 9.084 -11.584 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 0.609 0.830 -6.085 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 1.474 -5.794 0.497 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -5.800 6.074 -2.718 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 -2.152 0.023 6.673 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 9.583 19.727 -0.257 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 2.713 -8.354 -9.825 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 2.683 -6.022 0.150 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 19.228 -6.989 3.979 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 8.806 -5.851 1.238 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 3.090 0.825 -3.754 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 0.392 3.832 -7.490 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 13.163 -14.050 14.499 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 4.727 -1.494 -2.508 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 -3.329 -10.023 -7.233 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 0.480 -6.837 -7.174 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 -0.212 0.454 7.344 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 5.016 1.590 6.743 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 14.252 -5.378 15.471 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -4.384 -6.334 6.208 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 -30.171 14.740 -5.265 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -8.158 5.034 7.426 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 -1.071 -6.733 3.802 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 33.655 8.461 16.642 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 -32.353 3.777 4.386 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 -5.119 3.247 2.263 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 -6.785 3.729 4.534 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 -6.027 -10.860 15.923 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 2.993 2.490 -2.466 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 1.378 1.074 8.365 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 5.007 3.183 -5.925 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 4.938 0.568 1.978 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 -22.430 -12.163 -10.683 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 -1.868 -7.262 14.101 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 4.887 4.854 3.183 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 17.568 17.715 16.784 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -3.065 -9.600 -0.114 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 -3.025 0.703 -4.425 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 -2.914 14.957 9.930 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 2.183 -3.120 -0.934 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 -0.597 -0.524 -1.987 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -4.113 0.968 -2.621 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 15.278 1.422 10.670 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -2.919 -4.860 -6.498 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 4.174 -1.640 -6.378 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -3.275 -7.701 -8.432 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 4.990 -0.263 6.466 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 5.301 -0.179 -6.639 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 -0.347 -10.123 9.871 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 3.960 2.025 -2.864 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 -4.080 15.144 -3.354 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 29.489 25.015 8.765 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 4.855 1.624 -4.690 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 -4.590 -9.046 -26.000 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 27.352 13.103 -47.960 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 -1.462 -8.695 -0.379 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 4.129 -2.592 12.896 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -4.429 -6.363 13.564 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 0.289 2.615 3.293 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 -5.827 1.887 -3.060 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 -3.836 -12.970 11.359 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 3.219 1.078 -2.697 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 2.102 -2.107 15.816 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 -4.030 -15.327 -10.959 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 4.091 -1.415 -1.356 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -16.114 0.275 -10.444 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 10.687 -7.202 7.564 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -5.128 -0.474 -1.178 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -15.625 13.415 3.252 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -2.822 -2.689 20.323 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 0.479 -7.579 6.514 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -16.214 -6.866 -2.168 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 8.631 -7.427 17.347 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -3.153 6.109 4.720 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 4.700 21.057 -2.117 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 3.117 -10.724 1.279 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 -4.868 7.439 1.707 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 13.791 13.665 -5.985 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 3.902 3.478 8.857 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 7.150 11.953 -2.515 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 4.061 12.851 -14.013 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -12.246 10.615 -17.579 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -2.904 1.808 -3.824 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -6.298 -0.971 -4.889 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 -25.472 2.737 -9.943 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 -0.521 -3.497 -1.737 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 -7.297 -24.614 -9.026 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 -24.370 8.221 -6.534 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -2.393 -1.321 -3.391 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 5.516 0.702 -6.788 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -15.942 -5.081 -2.338 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -4.606 0.357 -3.633 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 26.045 -22.081 -9.334 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 2.642 -5.678 -6.035 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 -7.622 -2.620 -2.694 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 -24.307 -19.167 14.813 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 3.902 2.666 -6.336 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 -2.770 2.751 2.276 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 12.712 6.964 -37.096 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 5.828 27.130 11.809 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -5.167 -2.840 4.959 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 -7.729 4.622 10.602 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 -10.660 -5.521 20.166 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 -3.836 -2.367 -3.404 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -2.129 -2.328 -3.425 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 3.143 -1.176 -3.817 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 3.674 -3.288 -2.027 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 0.443 -12.136 -3.215 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 5.274 -20.397 4.196 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -6.586 0.402 -3.308 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 -14.719 7.305 15.362 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 13.758 -1.953 -11.915 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -2.149 1.875 -3.560 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 -10.873 7.967 -0.334 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 3.283 16.495 -26.291 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -1.254 4.464 3.488 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -4.667 10.160 6.665 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 -2.562 24.049 -5.528 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 7.793 -3.574 1.338 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -1.360 16.414 12.774 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 5.144 6.326 -4.051 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 0.505 5.461 0.817 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 3.203 10.006 -0.858 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 -2.577 7.790 2.575 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 0.621 5.783 -4.688 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -8.331 -1.405 9.866 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 15.692 4.393 5.357 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 1.503 0.588 -2.154 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 1.496 17.060 -2.402 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 11.726 -28.636 -18.667 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 5.826 -3.243 2.120 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -0.013 10.399 -7.216 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 -18.669 15.949 7.749 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 0.677 -2.850 -1.630 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 -5.464 0.897 -13.142 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -6.322 -10.132 2.377 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 3.374 7.485 4.663 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 -3.032 11.378 -14.315 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 -15.738 3.936 15.918 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 1.074 -1.058 3.889 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -7.839 -2.657 -0.480 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 -0.051 2.729 13.744 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -4.120 4.400 -1.187 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 2.043 1.738 2.474 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -5.961 14.068 -2.430 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 -3.114 -3.296 0.678 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 12.088 -17.388 12.394 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -4.520 -4.318 4.766 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -3.952 0.060 -1.021 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 4.219 -3.240 -1.446 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 -13.967 9.452 -3.009 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -4.197 2.937 -1.341 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -17.493 3.435 9.181 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 1.180 -7.772 6.947 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 -2.720 10.445 -1.544 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 5.597 7.313 -3.833 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -15.724 7.662 -6.829 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 0.265 1.098 -5.464 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 -22.863 3.570 0.537 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -20.648 7.175 -9.483 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -3.070 -3.102 4.373 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -14.994 5.917 -25.206 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 30.091 -2.201 8.821 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 1.744 -1.119 -1.350 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -1.069 -14.775 -0.786 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 1.591 -9.786 -9.279 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 3.594 -2.008 -0.688 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 0.196 -8.168 -7.645 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 3.472 -0.571 1.485 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 5.210 1.989 2.071 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 0.720 9.726 7.119 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 5.752 9.525 2.277 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 -0.752 -0.137 -7.479 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 -3.145 8.111 -15.431 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 5.180 -13.028 4.159 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -5.524 -1.388 -5.996 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -7.316 -5.156 -6.578 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -9.028 6.795 -2.802 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 1.773 6.615 0.700 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 37.710 9.903 9.642 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -7.286 16.505 -1.142 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -2.685 1.727 -1.342 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 -4.513 9.291 -6.840 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 22.741 22.775 -12.959 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -3.496 -0.786 -6.430 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 7.926 47.353 19.929 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 11.438 28.672 12.034 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -3.429 3.815 4.091 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 -2.941 3.673 3.112 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -3.057 -1.529 10.351 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -3.003 -3.802 1.282 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -5.455 9.924 -14.121 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 11.455 -3.647 -4.422 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 1.202 -5.507 -1.897 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 10.729 2.198 13.501 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 0.443 -1.946 -6.011 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 -3.784 -2.321 -3.754 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -4.030 -10.767 15.514 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -12.281 -13.794 13.793 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 1.412 -0.856 -3.161 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 12.360 -8.628 -1.380 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 11.069 34.051 15.823 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 0.601 -13.728 1.058 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 -8.478 -16.289 -15.771 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 2.908 3.353 -0.173 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 -6.539 -1.951 7.193 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -14.461 -1.332 3.901 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 -1.631 0.544 7.661 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 2.298 0.602 2.946 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 3.871 0.838 0.491 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -8.544 -13.511 9.927 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 -4.847 -2.003 1.805 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -14.191 9.185 11.401 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 5.197 -2.156 9.908 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 -1.511 7.157 -4.666 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -1.301 10.987 -1.584 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 5.976 0.451 8.085 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 3.405 4.724 2.377 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 17.332 10.677 10.120 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -18.525 7.400 -26.932 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -0.888 -1.693 -11.397 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 11.588 -1.611 6.510 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 -10.298 -4.741 -23.468 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 0.433 -8.043 5.459 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -2.426 8.441 27.069 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 -12.292 9.244 -11.492 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 4.493 4.544 -2.584 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 -18.707 6.263 -0.409 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 12.270 0.646 -20.958 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 -13.165 -4.544 -1.612 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 8.193 10.680 -13.106 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 -31.623 7.892 -8.611 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 0.673 -4.302 -0.841 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 -1.422 -0.906 0.968 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 10.707 1.090 -2.233 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -5.144 2.062 7.302 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 2.397 -8.950 -15.447 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -8.419 12.161 14.523 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 4.050 2.218 -0.385 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 11.902 3.290 9.668 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 -3.179 1.632 -0.059 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -5.097 -2.095 2.951 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 -8.071 -1.416 7.032 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 10.713 13.750 -6.806 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -5.590 -1.012 -0.353 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -3.268 -11.176 -10.225 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -9.487 10.414 6.754 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -1.803 -2.664 2.291 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 0.594 6.181 15.031 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 -1.114 11.561 12.938 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 1.017 4.454 4.303 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 12.857 -0.261 8.363 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 -11.767 8.325 -2.606 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 3.231 -0.029 -4.399 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 0.690 11.446 -25.219 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 13.652 6.032 5.028 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 2.791 -2.158 -3.648 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 -3.663 -18.001 0.047 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 27.492 5.215 -2.375 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 -4.747 -3.844 7.122 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 15.172 -2.989 7.007 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 2.746 1.590 19.741 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 -0.393 -3.650 -2.462 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 2.221 -3.820 9.989 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 -12.201 -21.997 -11.610 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -2.664 0.903 8.398 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 23.231 6.720 -3.745 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 17.562 5.980 -4.385 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 -3.581 2.405 -4.775 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 10.976 -0.742 9.794 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -23.648 17.785 -14.432 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 5.491 -0.904 -5.411 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 14.579 -6.359 -12.011 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 0.264 1.385 -3.592 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 -2.383 6.629 -0.336 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -9.887 0.625 1.336 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 22.255 24.572 -8.248 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -4.100 -0.340 -3.068 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 8.019 13.989 -27.816 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 1.773 1.173 -4.019 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 -5.440 1.316 -0.241 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -11.740 17.568 12.592 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 9.765 12.386 -21.054 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 -4.372 -5.198 -3.626 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 14.148 13.404 23.216 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 13.556 9.649 6.867 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -1.614 -6.959 3.306 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 -3.881 16.348 -3.845 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 -8.402 24.455 -4.806 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 -0.179 -6.555 6.319 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -9.678 -1.956 1.888 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 -3.235 -10.553 16.229 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 1.035 -2.035 0.449 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 5.033 -2.383 -8.474 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 -4.222 3.572 2.524 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 2.634 2.670 -2.416 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 6.190 2.247 -9.513 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 3.363 -4.690 -17.211 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 -1.980 7.576 -3.194 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 7.491 11.240 -0.204 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 -5.377 1.292 -6.919 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -2.678 3.996 0.985 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -4.915 0.982 15.757 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 7.749 4.408 9.935 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 4.707 1.739 0.523 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -13.043 -0.529 4.663 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -25.815 -12.006 1.352 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 1.943 0.962 -1.968 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -0.004 -3.029 4.486 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 1.210 0.231 2.641 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 -1.934 -3.634 7.210 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 4.131 -18.677 -21.300 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 -8.440 11.958 6.980 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 4.929 0.769 -6.648 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -9.219 -28.335 -13.388 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 -9.800 22.892 7.728 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 -1.933 0.399 -5.525 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -24.456 -7.085 6.607 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 14.939 8.419 4.647 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 -1.771 2.240 -2.139 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -8.003 -4.131 -15.332 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 3.112 2.160 -15.795 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 4.620 0.679 -0.455 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 -7.735 -0.336 -12.316 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 21.176 7.488 16.686 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 -0.854 -4.099 -1.080 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 -8.787 -5.965 -29.965 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 14.771 -8.747 7.490 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -0.485 -4.059 4.573 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 -5.477 -17.806 5.432 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 -1.708 2.883 12.305 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -5.736 -4.944 -2.758 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 -8.454 -7.002 4.166 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 -11.556 -10.640 14.907 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -1.894 6.447 -10.067 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -3.599 -8.092 -14.875 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 11.508 10.656 -14.063 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 6.522 1.392 -0.324 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -5.788 -3.631 -5.655 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 20.925 -8.938 -5.161 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 4.434 -4.310 -4.079 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 -30.893 -17.120 10.443 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 1.672 3.355 -14.951 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -1.943 -5.447 0.588 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 -20.460 -16.308 -17.794 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 6.349 4.423 -22.125 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 -7.271 -4.359 -0.347 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 -10.154 -1.935 -11.161 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 -17.030 -9.170 4.657 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 -2.924 -1.891 -1.339 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 -6.747 5.392 1.526 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 3.229 13.643 0.993 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 -0.803 1.157 -4.804 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 -9.533 -16.976 -17.279 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 -3.582 5.260 1.784 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 -0.706 7.289 -3.000 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 -3.777 10.585 -22.104 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 15.101 -3.075 -3.406 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -3.915 0.676 -2.133 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -9.996 -6.261 9.298 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -0.257 -2.974 -2.487 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -2.705 0.638 -0.438 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 -0.453 -3.037 -1.176 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 -2.482 6.753 12.343 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 -4.214 -1.332 -0.135 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 6.534 -40.939 -23.576 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 19.082 -11.699 -29.913 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -2.984 2.688 -3.564 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 3.285 2.633 -5.667 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 3.337 20.584 4.671 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 8.445 1.712 -1.721 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 6.664 -0.586 3.327 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 -18.666 31.413 -8.365 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 2.373 1.647 3.861 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 -0.844 11.827 14.712 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 8.733 -2.357 6.335 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 3.564 0.787 -4.208 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 14.182 27.802 -9.424 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 13.417 -15.279 -4.278 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 -1.505 -5.906 -3.275 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 -25.193 9.899 -1.959 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 -16.916 -4.830 -5.011 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -3.029 1.205 1.502 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 3.242 -0.068 -3.971 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 4.072 -5.288 14.924 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -4.318 1.119 -6.829 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 -19.463 19.033 20.746 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 -22.995 -4.372 -9.549 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 0.383 2.963 0.935 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 0.694 5.188 -0.508 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -23.068 2.435 1.748 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -4.536 0.567 6.053 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -8.636 1.471 5.625 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 -4.944 -1.705 6.585 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 0.507 5.546 0.931 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 14.919 -14.148 -5.466 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 24.181 27.566 -3.094 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 4.618 -5.809 -3.686 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -33.838 10.375 -25.235 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 1.309 20.568 -5.324 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -2.044 -0.260 -5.884 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 -19.074 -2.854 8.889 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 5.655 4.725 4.222 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 -5.164 -3.754 -0.000 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 -3.859 -16.676 10.264 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 -2.855 17.266 -16.238 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 0.193 2.473 -0.123 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -7.832 6.204 -9.630 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 -6.097 -3.213 -12.064 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 5.419 -3.726 -1.801 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 6.588 9.744 -4.611 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -6.205 0.504 -16.334 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 -5.375 -3.453 -5.623 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 17.410 -4.658 -29.993 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 1.044 6.707 22.046 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 -0.744 -0.828 -5.423 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 9.645 -1.448 -22.071 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 -6.835 -24.789 -12.376 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -2.671 5.858 -2.731 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 12.414 -4.864 3.385 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 12.073 -1.785 4.352 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 -5.656 -0.212 0.650 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -0.022 -8.971 -12.673 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 16.284 26.789 11.859 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 -0.657 1.110 -2.831 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -0.526 0.433 -3.309 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 11.435 -12.786 -9.733 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 -0.548 -0.739 -4.163 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 17.078 10.337 -10.929 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 11.745 -3.552 -7.860 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 2.657 0.892 -4.198 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 6.892 5.530 -5.421 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 2.286 5.191 -2.202 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 2.410 3.683 -8.460 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 10.377 -7.967 -2.187 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -4.249 -2.014 -14.181 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 11.720 -0.443 -8.357 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 -3.805 -0.965 -1.355 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 17.032 9.554 -11.873 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 -0.958 0.208 -4.532 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 -8.043 -17.419 1.688 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 -4.264 -6.228 3.682 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 -7.036 -1.696 -1.727 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 1.339 -16.779 0.144 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 0.848 -3.537 5.992 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 -5.447 -1.934 4.490 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 -4.470 -5.017 7.571 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -14.035 0.187 -5.126 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -6.483 -1.479 -0.155 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 -5.951 -2.314 3.395 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 -8.136 -2.380 -1.316 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 -4.823 3.303 4.654 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 -5.221 -20.675 9.342 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 -1.218 -17.772 2.753 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 1.052 1.951 5.542 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 10.998 -20.815 1.857 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -21.755 -11.352 0.036 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 4.932 -1.944 1.568 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 7.699 -5.471 -9.788 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 -17.336 -26.669 27.155 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 2.096 1.097 10.473 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 5.770 -4.984 2.627 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -3.512 7.206 16.423 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 -1.650 1.421 -4.397 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 -20.416 2.401 -20.541 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 11.890 0.946 6.891 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 -8.414 2.767 -3.473 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 1.061 8.414 3.994 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 -17.460 8.490 -25.354 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 -4.721 -2.147 2.351 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -6.650 5.313 20.021 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -10.061 13.393 15.935 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 0.956 0.709 -0.459 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -2.263 -4.503 2.247 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 14.240 -2.781 3.581 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 5.818 -15.450 -3.345 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 9.874 -9.598 -9.544 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 3.250 -12.771 2.636 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -3.268 -1.442 3.959 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -4.741 -8.030 -11.683 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 7.790 -2.656 2.219 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 -3.720 -5.374 3.092 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 18.859 -11.675 11.422 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 3.530 -6.974 1.026 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -3.589 0.935 1.714 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 0.376 0.981 5.629 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -4.111 0.143 2.621 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 1.580 -6.021 5.905 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 11.389 -3.684 -5.596 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 -0.092 4.681 7.229 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 0.912 0.676 -0.371 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 -18.257 -3.017 -6.294 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 -9.767 7.032 -5.301 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 4.562 0.681 4.956 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 7.997 9.358 -5.876 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 -0.334 -9.992 17.374 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 0.886 -5.161 3.528 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -4.060 -8.118 4.037 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 9.120 -12.007 -0.398 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 -0.331 -4.472 -0.993 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 18.457 -6.896 5.775 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -11.155 -18.907 7.043 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 0.881 -6.969 -2.775 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 14.114 32.698 -6.939 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 19.330 -13.309 -22.529 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 2.955 0.630 -5.131 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 35.928 0.700 -21.508 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 1.178 -41.902 17.187 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -4.121 2.241 5.298 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 18.332 -0.082 17.529 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 -9.428 2.497 -0.214 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 -4.624 -4.925 -3.645 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -3.914 0.531 8.166 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 13.350 -3.371 5.970 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 0.057 -1.624 -1.337 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 12.189 6.341 0.867 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 -9.161 9.093 -8.550 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -5.194 1.833 -2.979 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 14.337 -21.041 -1.822 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 -11.741 11.179 -2.557 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -0.127 -0.883 0.197 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 16.342 25.473 -26.881 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 1.082 -6.109 1.885 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 2.093 4.005 3.079 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 0.213 -9.419 26.526 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 -0.433 0.267 5.159 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 -2.873 0.439 -0.641 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 18.724 0.688 5.432 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 -7.022 4.274 -18.433 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 -1.689 3.732 -0.581 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -5.514 5.540 -8.342 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 1.484 14.176 2.310 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 -2.601 -3.215 3.004 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 7.569 -23.277 16.796 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -3.984 2.392 15.754 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 5.404 -3.785 -4.976 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 10.201 -3.379 -3.347 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 2.653 -1.149 -8.412 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 -2.009 -1.507 -1.045 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 11.924 -0.834 -21.221 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 11.470 -2.551 -14.809 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 2.100 3.756 -0.606 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 12.077 -0.175 -1.557 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 6.519 -16.991 2.275 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 5.677 2.280 -0.814 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -7.707 5.680 -3.191 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 12.139 15.001 -4.818 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 2.518 -5.360 2.103 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 0.539 2.291 16.050 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 5.363 2.615 -12.982 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -1.106 0.425 -2.190 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 11.583 -3.574 -9.419 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 -4.936 11.751 -8.879 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 1.868 -3.706 1.814 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -7.080 6.778 -6.257 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 31.059 -34.722 15.422 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -1.307 -1.209 1.883 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 13.702 3.976 9.851 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -6.883 7.804 2.816 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -1.437 -7.029 -3.551 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 21.496 -15.211 10.038 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 3.971 -8.596 -2.612 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 -0.153 0.635 -2.166 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 4.600 -2.743 -37.588 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -2.549 -0.791 -10.171 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 6.773 1.599 3.641 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 17.075 10.564 -12.339 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 7.262 18.975 20.644 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -2.606 -2.240 -1.705 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 5.610 -18.191 -17.489 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 4.335 7.816 -6.319 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 -0.166 1.927 0.949 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 -3.312 17.139 3.094 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 -10.149 -6.684 8.022 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -5.484 6.218 -6.783 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 -15.435 1.892 -3.914 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 -22.144 -21.695 -8.483 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 1.242 -1.161 9.448 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 5.300 15.151 10.108 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 2.119 -8.621 -11.695 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 -0.131 5.974 2.949 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 -20.968 -19.718 -6.596 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -13.054 -0.335 -12.753 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 1.651 -0.776 -5.408 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 24.372 -1.536 -16.896 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 -10.962 0.675 -6.507 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 10.694 10.629 -5.502 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 11.309 8.477 -10.256 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 9.891 5.821 2.377 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 3.893 7.514 -1.598 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 8.898 8.827 -23.194 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 1.848 3.723 12.918 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -11.034 -3.935 3.656 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 6.045 0.184 1.721 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -14.583 -8.589 -18.187 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 0.442 -1.782 1.073 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 -10.457 -10.068 10.477 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 -4.565 -11.519 -1.867 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 0.975 2.788 3.148 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -2.072 -0.900 -2.518 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 4.314 6.939 3.767 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 1.421 0.715 -2.744 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -7.547 0.099 2.001 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 -19.426 6.889 -4.601 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 0.698 0.485 -6.814 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 -26.498 -21.843 -14.855 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -9.334 29.661 19.127 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -2.026 9.474 -0.828 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 19.595 3.871 3.430 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 7.811 7.006 2.733 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 0.341 0.457 -3.507 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 21.670 -19.155 -3.398 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 19.978 6.032 -16.079 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 2.738 6.058 -3.305 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -16.194 -17.992 9.274 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 4.880 -15.773 -6.979 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 4.073 -0.588 8.080 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 -3.430 17.589 32.130 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 -12.681 18.019 8.506 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -6.727 -5.585 6.132 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 -11.833 4.189 2.486 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -22.127 -20.560 -1.017 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 1.202 -4.277 -5.478 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -3.215 -6.587 -3.951 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 3.955 0.922 -4.957 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 -6.934 -0.233 -0.275 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 6.494 16.570 1.371 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -12.657 -4.499 12.189 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 4.243 0.308 -0.167 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 -3.224 -17.910 10.075 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 -1.902 -4.757 5.562 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -4.602 1.307 -1.032 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -2.227 -20.744 -23.574 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 -2.432 19.214 32.485 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 1.945 4.065 -2.701 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 -3.664 11.367 -17.384 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -8.564 7.055 -14.991 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -0.410 -0.089 -0.652 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 -8.061 6.524 -0.126 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 5.700 -0.078 -8.252 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -1.802 -2.074 0.106 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 11.198 13.037 3.572 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -10.570 25.766 9.696 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -4.277 -5.627 -2.047 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 -2.205 -5.010 1.946 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 29.901 -3.786 18.653 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 5.089 4.481 5.278 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 21.008 -4.670 5.863 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -6.364 4.613 -0.032 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 0.441 1.979 1.063 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 4.272 7.116 -9.304 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 -26.782 -8.316 -0.033 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 -3.587 -2.148 5.615 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 35.881 4.620 16.744 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 -10.667 -12.198 -22.788 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 5.314 -0.818 -8.363 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 6.088 3.107 -7.432 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 1.120 -1.872 -9.745 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 -2.865 3.394 -3.458 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -0.872 -2.350 8.085 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -5.083 -12.074 9.995 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 -2.340 2.602 3.464 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 5.741 -0.484 12.590 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 -9.331 13.248 7.443 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 -2.741 -0.910 4.020 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -20.812 13.954 19.212 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 15.031 -11.003 -4.267 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 -4.437 -1.199 3.629 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 19.368 -23.730 17.145 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 14.255 -20.025 -11.482 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -8.064 0.310 -2.837 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 2.646 0.881 5.575 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -5.185 -11.030 -43.142 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 1.830 -0.894 3.078 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -3.986 29.197 8.267 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 2.728 -16.323 -4.421 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 1.108 -0.054 3.685 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -3.769 19.967 -7.814 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 -11.585 18.114 6.982 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 1.750 -3.696 -13.166 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 4.353 1.353 -6.737 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 3.558 26.933 6.449 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 5.626 -0.088 -2.932 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 5.086 4.321 -8.758 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 5.708 5.077 -7.107 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -0.215 4.126 -1.274 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -0.072 -5.833 18.833 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 -16.592 -2.717 -33.199 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -5.737 4.460 -2.384 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 4.341 5.155 -13.659 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -2.964 3.563 18.949 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 -5.529 6.223 0.126 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 -11.238 0.270 -16.792 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -2.737 -8.004 -0.848 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 -1.415 -10.430 8.939 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -9.428 -15.127 -0.624 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 2.494 -6.737 12.673 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -5.090 -14.057 -0.540 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 -5.174 5.667 4.216 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 -2.424 -2.296 13.474 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 1.340 -0.771 11.779 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 13.298 -7.551 26.895 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 8.764 -4.715 -6.778 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 8.010 4.703 6.202 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 31.355 -8.169 5.336 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 8.220 19.659 -12.546 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 -1.757 2.318 -2.748 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 -13.147 13.614 23.198 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 20.983 3.977 4.738 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 -3.638 -6.420 5.149 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 -0.567 -11.304 -4.059 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -14.625 2.920 19.193 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 6.155 2.155 -2.056 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 14.354 8.686 3.273 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 1.702 6.709 -0.738 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 0.489 -4.930 -5.992 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 20.263 -4.645 -8.759 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 -14.119 -5.961 -3.841 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 5.066 -1.155 -1.045 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -21.971 14.199 -13.858 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 23.000 -10.847 5.313 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 0.670 3.721 3.264 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -6.537 0.062 3.568 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 13.767 7.486 0.779 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 6.129 3.803 2.369 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 16.521 -11.320 -2.839 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 -3.682 18.407 -14.035 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 6.961 -1.374 -2.761 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -1.458 -4.500 -30.201 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 29.554 -12.321 15.028 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 4.603 3.563 -5.315 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 11.885 18.386 -4.592 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 -5.324 -6.326 4.512 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -11.926 4.015 2.944 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 7.142 -5.199 -4.657 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 5.218 -12.164 0.062 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 3.131 3.483 -1.452 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -6.922 -7.885 8.249 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 0.180 -12.039 11.300 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 3.169 1.187 1.225 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 15.576 8.959 10.017 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 -2.198 1.631 -13.293 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 2.423 1.502 -1.854 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 0.550 18.835 3.533 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 -0.606 -4.212 13.238 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -6.536 2.637 -1.386 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 -1.994 8.729 -3.843 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -9.083 12.321 -10.385 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -3.973 5.085 7.531 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -7.199 -13.623 19.540 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 -0.274 15.481 -0.777 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -4.226 8.007 1.608 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -15.767 3.464 9.444 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 18.542 -1.660 15.706 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 3.379 1.641 -2.355 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -16.300 0.312 2.860 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 8.172 2.326 -13.028 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 -4.384 -5.282 -3.405 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 1.612 -16.222 -0.705 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 -3.622 -7.265 -6.173 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 3.129 3.113 4.368 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 -5.498 8.191 -11.756 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 29.038 -13.438 -11.172 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 1.834 -3.740 -0.226 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 27.117 -8.450 2.198 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -35.556 -6.235 10.685 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 1.118 4.064 -2.229 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 8.532 0.748 0.103 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 -8.887 9.718 -2.947 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 6.592 0.866 -0.785 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 4.831 3.830 -4.739 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 16.296 -2.630 4.891 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 0.845 0.617 2.597 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 -9.682 -0.000 33.068 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -25.103 1.359 -14.213 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 5.262 0.274 -6.110 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 10.657 10.750 3.109 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -13.631 -14.174 13.116 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 -0.338 3.516 4.455 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 -16.822 2.541 -5.235 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 -6.628 3.969 -0.457 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -2.590 -0.653 0.780 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 7.388 -3.437 10.286 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 16.819 3.166 11.324 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 4.781 -0.194 0.681 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 5.778 1.192 -0.236 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 4.506 -0.345 0.501 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -1.317 -0.644 -2.623 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 7.498 -5.339 -10.580 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -1.806 -9.042 13.475 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 1.044 0.080 3.671 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 0.847 6.242 14.263 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 16.225 1.513 -2.910 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 0.714 3.981 1.265 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 8.817 5.233 -7.912 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 16.299 9.353 -7.435 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -4.764 1.245 -0.527 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 -2.599 -3.620 1.137 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -10.240 -0.462 3.561 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 1.327 -8.734 -0.027 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -0.485 -5.866 -1.918 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 7.643 -4.628 -3.313 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -5.655 1.118 6.250 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 8.571 16.777 9.331 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 -3.931 -3.905 24.206 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 -2.983 3.387 -0.458 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 0.702 -0.545 -2.209 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 -7.321 10.001 1.624 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 3.972 -9.512 1.973 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 0.930 15.229 -0.813 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 -10.426 -7.735 -34.013 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 -15.992 4.524 1.638 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 -16.088 -14.722 24.761 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 -1.046 -4.724 -21.352 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 6.289 4.659 -2.516 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 10.204 -5.272 -6.288 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 2.550 -3.263 -9.036 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -0.874 -1.493 -5.132 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 14.029 5.549 -13.980 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -28.850 -17.536 6.469 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 3.328 0.985 1.671 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -5.500 5.773 -5.138 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 11.554 9.262 12.963 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 -0.685 3.042 0.321 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 -0.673 4.499 -1.684 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 -1.617 3.524 -0.712 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 4.353 4.943 6.207 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -37.365 -14.942 5.108 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 -9.440 -0.590 14.759 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -6.178 -3.886 6.158 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -14.727 10.623 -7.869 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 -11.621 -15.675 16.522 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 1.824 -0.901 0.083 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -6.175 6.177 -0.733 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 10.575 3.727 -9.249 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 0.877 -0.080 2.549 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -8.115 1.503 6.079 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 3.398 10.795 2.149 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 5.457 1.925 -2.861 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 -8.399 -7.388 -7.477 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -0.412 10.980 10.458 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 1.068 -1.824 5.943 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 3.705 -6.108 -14.726 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 19.743 -17.914 15.435 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 2.876 3.573 -2.874 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 3.800 -21.362 0.988 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 -5.148 8.177 -4.908 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 -4.468 -1.339 5.893 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 -6.192 -17.168 5.415 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 -17.261 -4.381 -1.705 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -4.819 -0.512 -5.957 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 -16.841 -4.112 -3.717 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -0.736 3.599 6.672 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 5.649 8.861 0.250 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -18.456 -15.782 7.027 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 7.040 -8.208 25.834 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 -4.511 4.688 1.122 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 15.088 34.448 7.688 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -11.813 19.683 -30.638 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 1.413 -0.748 -0.852 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -5.239 -18.019 -20.333 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 24.015 -0.548 -7.815 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -2.494 3.951 -2.233 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -16.190 -11.847 14.173 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 8.352 -15.456 -11.075 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 1.171 -2.664 2.389 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 1.535 -2.843 6.147 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 4.971 -3.045 1.243 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 0.295 -1.579 -0.272 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 -0.319 5.048 9.323 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -8.089 -10.289 -6.890 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -2.396 2.044 -7.239 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 -4.882 -5.743 -19.467 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 -8.283 -9.235 -6.704 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 4.703 -2.057 -2.002 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -5.567 -2.864 22.950 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 -5.377 28.978 -20.498 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -3.532 1.480 -4.427 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 1.859 -2.104 -5.885 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 12.557 -8.939 -8.993 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -1.604 -0.526 1.140 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 7.836 -1.665 -0.499 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 -7.094 18.389 5.265 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 4.845 -2.522 6.945 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 -4.264 1.090 -27.037 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 4.232 12.732 -2.318 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 3.684 -6.063 -7.809 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 7.349 -5.366 -13.656 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 6.087 -8.887 0.263 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -1.036 -0.472 7.164 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -3.957 -8.173 -1.944 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -1.532 0.527 -0.690 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -5.007 -0.905 -1.572 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -11.769 -7.838 -19.158 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 -0.666 -8.650 3.696 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 0.201 4.279 8.309 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 9.446 -11.847 6.782 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -17.774 10.999 6.818 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 0.275 -0.360 -0.265 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 -10.172 6.110 -6.174 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -5.219 -14.895 3.155 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 0.039 -0.073 3.193 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 1.198 -0.095 0.572 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 0.495 -0.640 4.719 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 7.627 -1.093 -0.253 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -21.276 -8.175 16.034 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 -14.201 3.735 0.177 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -0.840 6.140 8.081 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 1.021 7.841 6.942 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 -2.635 7.784 9.371 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 5.846 -7.075 3.962 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -9.301 -21.661 13.268 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 11.353 -6.972 2.449 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 -4.338 9.562 -4.804 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 22.337 13.829 3.285 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -3.888 10.981 -30.730 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 0.404 1.620 -0.112 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -5.014 -19.093 3.676 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 8.820 -19.516 -12.912 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 -3.842 -1.766 1.441 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 12.610 -22.290 -2.157 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -4.832 -1.216 2.267 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -2.656 -7.778 -7.256 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -1.637 -10.383 -8.361 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -16.988 4.801 1.296 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 1.071 0.937 -5.481 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 25.432 -9.121 -24.571 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 -16.648 27.137 -6.994 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 2.671 1.534 -1.855 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 14.473 15.389 -0.356 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 1.234 -3.271 0.931 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 5.579 -0.330 0.732 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 3.314 -12.862 -5.105 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -10.475 -1.151 -9.982 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 -0.871 3.520 2.999 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 -5.199 3.745 6.647 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -17.503 14.765 -29.591 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -10.241 -3.908 -1.985 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 -13.760 27.218 -15.306 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 21.120 -12.126 5.701 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 -1.568 0.338 2.569 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 21.950 -13.660 -2.516 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -21.188 -2.637 0.298 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 -1.963 3.707 -4.656 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 -17.426 -8.192 3.326 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 -8.828 11.633 -14.295 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 7.391 5.007 -4.718 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 23.102 -0.676 -0.043 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 -5.490 0.942 -5.754 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -6.869 1.947 3.339 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 -0.528 17.193 12.009 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 -35.283 -13.128 15.308 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 -0.590 -1.507 -0.982 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -3.813 3.113 -1.840 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -4.735 -8.791 -2.845 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -4.863 0.064 4.894 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 -4.840 -8.708 0.596 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -11.673 -16.583 -13.274 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 -3.643 -0.199 2.129 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 16.550 3.774 5.495 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 9.738 2.491 4.543 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 4.590 -6.802 -3.239 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 -3.991 7.247 -6.569 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 1.218 3.604 -8.353 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -2.382 -3.024 -1.974 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -0.848 -1.671 13.824 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 18.036 -17.968 23.685 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 1.989 1.419 2.319 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 -0.986 2.595 14.297 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 -5.811 -6.073 -4.953 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 8.131 4.282 -2.017 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -2.649 17.734 -3.689 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 3.835 12.313 10.851 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 5.513 -8.243 -0.543 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 4.908 2.824 -9.748 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 6.751 -2.387 21.755 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 -1.267 -1.168 0.952 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 -30.975 1.779 -1.868 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 4.348 -10.766 -1.939 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 5.901 1.250 0.769 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -0.260 -5.192 3.985 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 7.443 2.255 15.808 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 -4.171 1.420 5.695 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 7.953 7.655 20.444 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -9.863 5.671 12.093 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 3.094 1.034 -3.221 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -10.726 15.597 11.040 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -10.166 -18.846 0.550 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 1.195 3.842 -5.423 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 -1.677 -5.039 9.537 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 13.722 -4.506 2.915 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 1.215 -0.131 -1.707 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 13.192 -4.712 2.690 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 -20.462 8.151 -11.115 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 2.103 7.297 1.531 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 11.086 -2.569 23.589 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 11.354 -2.182 -18.044 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 4.249 2.289 -0.775 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 12.491 0.813 -7.341 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 2.216 0.515 -0.998 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -5.195 -3.976 -3.352 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 3.276 2.222 4.978 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 2.846 -10.727 0.072 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 0.418 0.931 7.835 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 -2.400 7.727 4.290 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 2.872 -3.424 1.725 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 -3.470 1.924 7.583 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 1.481 -11.103 22.256 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 -0.812 2.811 2.245 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -9.192 0.247 -5.637 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -9.408 1.321 -0.087 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 2.964 -3.567 -1.167 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 -4.109 0.442 1.028 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -3.209 7.315 3.388 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 3.861 -6.833 -2.811 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 -6.379 -2.234 0.447 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 -20.776 0.466 -1.334 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 14.933 -12.030 -5.225 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -0.223 0.459 -0.684 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -20.212 -10.278 -8.955 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -15.106 -14.303 -5.632 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 1.125 1.613 -1.185 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -15.043 -17.166 0.214 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -14.215 2.157 9.448 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 6.224 -1.373 -1.410 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 4.977 -14.322 4.665 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -6.038 -23.405 -5.085 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 2.558 -1.255 -0.594 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 -3.638 -5.111 3.694 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 3.939 9.097 -1.585 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -1.170 -1.168 1.028 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 7.542 -20.244 21.932 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -2.875 -24.179 1.638 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 5.439 -0.588 -1.159 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 4.914 -4.972 -13.114 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -2.892 7.312 -1.984 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 4.268 -10.121 -2.970 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 11.067 -19.068 -4.481 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 7.090 -2.442 -15.964 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -0.899 2.559 2.329 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 -10.701 -6.851 -8.509 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -7.715 19.583 0.204 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -0.188 -4.489 -3.224 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 -0.416 -0.888 -2.572 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -0.962 -0.040 -2.190 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 2.062 -3.426 -8.825 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 0.783 -7.744 5.912 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 10.895 14.026 14.842 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 2.940 -3.382 3.117 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 -7.272 6.594 2.115 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 11.636 13.126 7.148 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 2.566 4.971 5.208 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 -2.181 -1.086 15.811 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 10.347 5.861 -16.464 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 -0.274 0.711 -5.024 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -0.847 -8.605 -13.375 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 2.382 -1.924 4.518 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 -4.091 -5.362 -2.238 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 -7.847 -16.309 -18.937 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 -8.765 -5.245 -3.672 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 -6.591 -1.353 -3.909 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 -32.809 -17.856 -15.242 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 -1.548 6.103 -30.760 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 4.368 3.301 -1.030 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 6.270 -2.988 -13.158 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 1.708 0.283 4.698 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 1.987 -6.581 1.213 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 -3.413 -11.750 9.781 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 0.454 18.287 -3.880 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -0.684 3.582 3.218 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 8.309 -7.034 4.641 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -13.820 -0.215 0.637 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 1.228 -0.357 -6.298 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 -0.748 2.791 -9.756 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 0.172 -14.102 4.660 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -4.395 7.678 -4.998 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 9.690 32.046 -2.418 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 6.059 22.623 -3.359 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 0.597 2.819 -2.168 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 0.962 -1.289 -0.771 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 0.534 1.918 -1.686 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 4.495 -7.183 4.306 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 8.591 4.152 13.225 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 10.334 4.033 12.842 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 1.861 4.212 3.977 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 25.489 5.906 -7.810 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -24.754 4.784 27.048 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 1.155 -3.881 -0.712 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 14.986 -7.979 -15.312 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 2.716 8.947 -1.119 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 0.614 0.668 -7.306 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 -1.169 -11.051 -18.821 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 12.613 12.268 3.643 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 -0.414 1.856 -0.506 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 7.059 6.063 21.117 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 14.441 1.866 -11.463 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -8.067 4.989 0.159 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -0.921 14.657 -25.960 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 0.395 20.030 19.375 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -6.043 -4.698 -3.484 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 -16.925 15.033 8.128 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 19.971 22.874 0.279 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 1.593 -8.445 3.552 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 0.742 -10.400 18.242 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 0.958 -7.358 -5.608 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 -2.035 1.247 2.479 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 16.625 -4.508 -7.191 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 11.291 -5.635 2.368 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 4.215 1.796 -9.242 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 16.142 -9.069 5.832 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 17.143 -9.597 3.178 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 0.439 -5.205 -0.085 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 2.549 -4.139 -3.530 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 6.259 -0.786 -9.912 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 -3.193 0.848 -6.284 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 1.198 -25.307 -8.482 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 7.116 15.184 22.104 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 -2.465 7.211 -6.888 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -8.714 -3.130 0.678 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -11.509 8.732 -17.723 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -2.499 0.550 -0.039 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -8.488 6.975 -2.180 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 23.399 56.126 21.869 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 -2.534 -0.971 6.958 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -2.527 -16.527 -6.313 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -13.930 12.290 27.379 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -0.782 -1.772 -0.978 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 -5.013 -15.981 -19.743 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 7.449 26.382 -17.745 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 0.361 8.115 -5.423 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 0.488 24.148 -1.009 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -5.560 14.921 0.357 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 2.216 -0.364 4.527 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 11.396 -7.371 -14.600 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 5.184 2.998 5.968 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -3.898 4.093 1.742 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 1.974 -6.726 13.273 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 -0.504 5.571 -26.182 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 2.835 0.546 -2.163 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 0.168 11.559 -4.304 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 3.671 17.225 -7.649 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 1.660 6.184 2.981 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 3.362 -2.167 1.504 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 1.673 8.487 4.592 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -0.730 0.628 4.982 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 -0.836 10.206 25.421 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -11.295 1.175 9.174 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 0.768 -3.243 -5.933 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 15.390 26.026 -8.856 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 5.553 -24.675 -14.063 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 3.867 1.760 1.507 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 5.184 9.096 0.309 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 -4.539 -2.537 -3.265 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 0.036 -1.961 -1.288 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 5.751 8.718 0.407 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 -6.700 -16.012 1.016 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 -1.277 -9.460 -6.071 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 18.091 17.167 1.512 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -8.812 -18.300 18.229 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -1.734 7.225 -3.229 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 -18.286 -10.321 31.377 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 3.478 15.093 -2.517 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 2.898 -3.259 1.579 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 10.393 -6.781 -5.760 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 -2.052 10.135 23.741 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 3.735 0.047 0.619 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 13.053 -1.529 -14.239 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -4.168 1.897 17.277 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 4.765 3.931 -0.351 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 0.298 -3.061 1.127 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 -4.399 1.900 -7.242 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 2.553 -0.843 0.789 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 -11.524 -4.163 27.047 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 20.709 -18.448 -0.928 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 2.386 1.455 -3.170 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 11.595 7.829 -13.118 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 0.652 4.487 5.167 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 0.946 0.272 -1.521 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 4.683 5.256 1.673 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 -0.785 -1.839 -2.792 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 1.380 -2.760 -7.407 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 0.371 1.234 -11.895 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -12.854 -1.588 -30.083 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -3.730 -2.821 -0.409 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 7.913 15.293 -2.100 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 10.889 18.268 -4.573 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 6.413 4.195 5.963 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 -4.670 0.082 -5.090 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 -14.537 0.602 -21.307 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 -1.503 4.435 -1.626 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 -13.570 5.005 4.667 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -3.681 -15.156 0.771 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 6.710 -4.050 -4.290 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 -3.131 7.818 2.578 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 19.809 -26.041 -16.723 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 2.116 -2.966 -5.375 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -19.121 -10.300 3.908 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -6.146 -7.519 -24.093 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 7.504 3.084 -7.068 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 -9.435 4.355 -13.364 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 4.608 0.054 -9.058 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -1.462 -0.425 -0.017 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -3.169 3.043 -1.201 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -5.893 -1.675 -2.943 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 1.893 -2.953 0.792 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 9.947 7.638 3.890 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 -10.675 -3.274 11.216 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 -1.512 2.342 8.155 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 -8.814 5.327 -17.597 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -1.926 -13.407 18.994 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -5.238 2.693 2.206 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 -5.594 4.279 7.977 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 -6.797 -4.545 8.660 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -0.209 -2.156 -0.527 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 -16.578 -13.923 -9.507 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -14.451 20.315 -4.010 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -1.397 -2.673 -2.105 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 19.082 -4.395 12.688 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 0.631 6.189 4.632 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 3.422 -2.298 -3.028 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 -1.306 -22.616 1.613 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 -6.229 -13.122 1.875 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 3.011 -2.585 0.540 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -0.435 10.499 -1.492 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -9.305 -5.902 -0.943 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 -0.374 -0.656 -8.559 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 24.328 -5.233 3.068 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 -7.472 4.393 -1.108 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 -2.151 1.683 5.028 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -7.938 -3.724 30.204 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 18.054 14.347 18.382 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 4.436 -1.502 0.435 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -5.622 -17.894 -2.881 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 10.352 -3.726 12.247 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -2.073 -8.858 -0.213 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 17.557 -13.111 -5.774 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 -3.411 -2.849 21.790 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 -2.485 1.434 8.574 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 -6.132 10.917 4.101 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -1.933 3.846 16.319 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -7.478 2.693 7.688 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -13.969 21.629 -6.508 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 -9.674 7.579 -2.508 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -6.621 -0.329 -0.220 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -6.303 -17.582 -13.796 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 -4.021 10.673 -7.406 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 -2.491 1.030 4.534 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 0.808 -6.882 2.849 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 2.518 0.212 7.663 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 -5.336 -0.474 3.599 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 -0.706 -2.555 1.668 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 8.156 0.698 -19.004 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 -4.243 -0.144 8.042 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 -17.542 -11.000 -3.543 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 6.998 5.785 7.808 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 -2.695 -2.264 0.999 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 -11.091 -10.385 7.913 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 -2.974 9.545 1.862 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -4.253 1.480 -1.987 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 15.852 3.311 -26.857 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 -0.475 4.298 8.688 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -1.996 6.989 2.029 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 2.363 11.115 1.346 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -18.089 19.131 17.464 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 -3.769 -0.113 2.446 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 0.420 -0.998 5.450 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 10.135 17.533 3.536 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 3.281 -0.266 -3.329 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 1.217 -1.567 -3.198 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 5.351 -0.246 -8.274 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 1.730 1.791 -5.583 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 1.034 1.767 -5.053 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -8.453 4.315 -0.551 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -6.047 -6.647 1.216 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 8.098 -18.538 5.188 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -1.436 8.512 10.796 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -7.660 -3.382 0.981 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -4.568 -2.165 10.263 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -7.807 -3.004 3.434 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 5.443 -1.368 -3.330 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 13.103 -3.235 -12.441 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -8.529 -7.049 11.336 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -0.933 6.716 5.149 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 4.381 13.047 26.747 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 17.729 0.042 -4.269 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -1.118 3.398 5.345 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 0.567 -8.763 -1.139 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 -2.485 11.917 9.734 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 0.821 4.193 -1.253 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 13.237 -2.858 -0.691 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 -4.362 7.547 5.957 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 1.394 -3.738 -4.562 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 17.792 -12.404 -6.301 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -17.973 8.515 -5.879 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 2.501 5.010 -0.660 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 7.261 14.188 18.894 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 10.674 12.698 12.677 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 -3.597 -5.189 3.873 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 0.146 -8.508 -8.258 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 -15.170 -4.748 -4.286 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -1.658 -1.308 2.052 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 22.202 -10.007 12.962 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -0.700 -1.425 5.317 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 -1.060 0.204 -0.234 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -18.549 0.762 13.271 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 9.863 -5.610 7.331 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -2.906 3.461 4.877 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 15.847 22.024 -5.076 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 -11.655 -15.701 14.279 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -0.232 1.542 0.624 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 8.292 7.101 12.438 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 7.581 -9.761 -1.129 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 0.722 -2.682 -0.317 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -2.468 -2.805 -14.700 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 2.304 15.744 13.777 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 4.350 4.933 0.017 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -13.836 11.674 3.544 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 18.935 -1.990 18.650 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 1.725 2.315 -8.034 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -4.670 -8.798 9.154 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 8.949 19.036 3.721 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -1.035 7.876 -0.778 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 5.349 4.440 -5.697 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 -15.494 18.716 -11.091 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 -4.843 2.813 6.006 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 4.884 -26.396 1.286 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -9.710 17.526 8.999 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 0.907 -6.347 6.009 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 16.267 -11.746 5.337 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -5.373 -0.239 19.823 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 2.353 -3.735 1.025 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 40.332 -7.270 -0.001 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 7.214 12.774 11.140 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 6.656 -1.917 6.930 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 18.490 -1.844 -0.704 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 0.655 1.926 9.790 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 -3.012 -0.784 -2.580 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 -10.675 20.244 0.388 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 -20.143 -14.745 -8.483 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -3.439 2.100 6.143 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 -1.470 3.369 8.311 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 0.856 -1.833 7.485 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -1.988 -0.540 -1.729 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 0.487 11.267 -8.559 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 -2.415 -6.129 -1.747 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 -1.448 8.198 -0.010 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 -0.989 18.045 -1.101 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -8.021 2.004 4.157 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 8.797 -0.979 6.198 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 12.524 8.128 -1.842 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 20.866 -0.700 12.149 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 5.487 -2.429 1.714 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 5.040 -7.220 -14.728 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 7.803 4.164 9.751 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 0.413 -1.548 -1.490 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 14.926 3.336 15.485 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -8.748 -20.688 -14.363 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 1.712 -0.667 9.828 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 19.838 -6.735 11.865 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 5.054 -4.934 7.255 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 0.716 0.858 -6.997 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 -14.671 0.629 -9.656 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 0.677 -14.415 -24.538 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 2.975 5.566 -4.565 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -5.642 12.642 0.070 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 18.979 -18.927 32.534 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -2.110 -3.660 -2.062 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -18.381 -10.873 27.429 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -15.954 1.843 -15.641 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 6.397 -8.825 -1.151 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 2.391 -6.173 -12.975 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 4.254 -19.775 -0.237 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 -0.185 0.371 5.977 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -30.257 -13.625 -3.147 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -7.857 26.003 -2.822 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 1.408 2.044 3.378 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 -8.822 -23.839 -0.972 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 0.515 -4.658 -3.538 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 -6.149 -1.731 -0.738 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 -7.926 8.414 -11.344 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -17.446 -3.890 7.944 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 6.551 -9.180 -0.234 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 5.345 -6.316 12.460 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 5.051 9.294 -16.964 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 -5.919 4.628 -3.707 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -7.380 6.384 -21.433 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 4.078 3.067 -6.071 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 3.050 -3.263 -0.696 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 -9.996 -31.011 4.386 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -3.263 1.115 -8.619 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 -7.153 -2.287 4.167 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -5.261 -3.184 1.407 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -16.053 3.066 -0.239 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 1.939 5.977 2.566 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 3.862 1.191 7.707 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 2.695 6.344 -3.721 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 0.107 -3.123 -3.775 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -14.265 1.644 -6.381 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -0.850 -1.830 -2.488 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 1.960 -2.586 0.403 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -9.920 -5.731 12.431 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 15.218 10.770 6.750 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 4.947 -3.836 -1.263 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 24.635 4.511 -2.825 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 27.089 -8.939 -6.901 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 6.378 -3.916 4.284 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 8.920 -4.538 4.698 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 8.735 -1.754 -1.847 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 6.906 -1.691 -8.808 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 5.938 -1.101 -7.677 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -10.523 5.643 0.845 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 -2.462 8.594 0.219 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 -19.707 9.833 -8.331 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 12.470 10.214 1.694 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 3.226 -0.028 7.576 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 -4.894 -23.648 18.654 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 0.232 -3.614 -19.639 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 0.940 -1.659 3.912 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 -1.259 4.463 3.179 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 -6.589 4.585 7.291 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 -6.574 2.681 1.943 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 -30.105 -10.878 -6.458 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 2.724 -11.514 -11.480 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 1.701 0.372 0.576 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 -2.166 -11.786 -13.737 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 -19.205 -3.697 19.270 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -3.190 4.905 0.622 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 8.313 15.053 16.087 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -3.909 10.039 4.154 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -0.796 -0.716 1.009 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 -16.416 -1.494 3.743 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 13.998 24.186 -6.409 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 2.386 -1.872 -5.810 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -20.303 -5.718 -13.002 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 8.696 -7.109 0.181 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 -0.138 5.044 -2.831 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 -1.380 1.790 -3.563 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 -3.833 -6.509 -1.042 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 0.093 -3.082 4.550 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 0.448 18.697 35.040 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -7.454 -3.440 18.638 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -4.371 -0.625 0.019 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 6.234 -14.574 -5.854 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -27.701 12.305 13.352 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 2.000 10.281 -4.521 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 -2.506 -1.314 -10.744 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 0.731 22.143 1.687 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 2.796 -2.244 0.217 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 -1.176 9.190 -7.357 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -3.650 -12.194 20.811 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -1.106 0.273 2.609 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -3.905 -32.370 -10.789 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -8.306 6.136 -31.197 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 5.676 -7.319 -0.277 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 3.344 -7.422 10.946 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 1.072 3.562 -3.547 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 -0.134 -4.172 -2.643 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -16.468 -8.330 0.600 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 3.014 -7.558 -4.908 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 1.073 -0.302 7.255 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -5.474 -4.301 -9.923 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -12.136 -8.458 -12.789 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 2.278 -0.459 1.986 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 19.966 -3.535 2.457 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 12.954 -6.397 8.431 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 -4.531 -2.116 7.402 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 -2.484 2.927 -0.957 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 0.374 2.610 9.638 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 2.066 1.550 -2.254 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 5.046 -26.734 -10.778 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 4.433 -8.817 -5.958 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 -3.138 2.776 1.319 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 -16.434 -1.387 20.403 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 -13.369 0.042 16.467 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 7.536 0.398 2.135 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -22.691 -14.121 -6.058 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -1.807 -7.224 5.915 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 -1.580 4.945 4.365 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 1.464 9.080 17.233 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 7.757 11.001 13.404 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -2.881 7.987 0.718 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 -19.412 -3.346 10.095 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -14.576 14.194 -13.289 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 -3.937 -1.936 -1.027 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 0.793 -0.570 2.417 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 18.448 -12.071 25.332 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -2.158 1.948 6.721 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 -0.275 2.845 13.692 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -4.576 -2.527 7.345 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 -1.574 -1.478 -1.588 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 -9.563 -4.226 -2.649 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 22.116 3.004 -17.351 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 3.926 -0.726 2.946 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 25.710 0.943 3.704 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -14.062 -6.959 -6.041 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -3.032 2.575 6.188 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -1.020 -3.378 6.581 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 -8.870 0.066 0.415 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 -2.355 4.385 7.606 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 16.315 -18.664 1.622 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -16.277 -1.500 12.746 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 3.915 -1.474 -6.421 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -19.187 -22.740 -18.917 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 -4.843 -2.790 24.137 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -1.068 -4.356 -4.106 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -1.151 -9.148 -4.329 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 -14.547 18.895 -7.016 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 1.238 -6.850 -1.223 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 -8.372 14.669 19.359 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -14.768 7.366 11.796 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 -3.198 5.508 -1.383 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -8.687 7.075 0.905 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 0.720 12.200 -9.337 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -0.329 -3.349 -7.913 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 1.702 7.474 36.387 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -16.994 7.448 -4.840 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 3.166 2.286 5.173 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 12.274 2.052 20.310 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 24.626 3.529 -22.119 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 -0.819 -2.809 -4.564 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 8.799 5.736 4.070 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 22.413 -0.453 -2.474 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 3.195 3.789 -7.959 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 5.055 14.501 -12.988 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 -12.416 10.611 2.303 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 -1.933 7.602 2.292 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -9.710 6.537 7.092 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 8.442 16.261 7.305 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 -3.545 5.908 3.458 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 0.346 11.860 3.173 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -0.203 0.412 9.085 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 -7.858 2.231 -0.417 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 -4.765 34.496 1.216 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 -29.924 4.802 25.065 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 -4.690 1.224 -0.070 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 0.698 -10.656 -4.279 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -3.092 7.073 0.329 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 0.245 2.119 2.192 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -15.038 8.677 -9.564 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 6.509 -1.737 -5.450 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 0.234 2.886 -1.588 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -20.570 -1.256 -33.711 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -2.153 15.867 1.225 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 2.995 -4.340 1.531 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 4.726 -1.586 11.020 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 5.151 -10.948 -2.653 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 3.232 0.891 3.223 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -18.981 -21.321 -8.055 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 3.745 1.327 5.612 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 6.640 -4.031 -0.207 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 14.928 7.228 -13.311 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 2.724 -18.960 17.952 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 -7.658 -2.684 0.027 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 11.624 -2.767 -13.953 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 -8.927 4.165 18.199 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 2.738 -4.774 -2.199 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 6.650 -3.360 18.034 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -3.807 -10.137 -22.671 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 6.836 -3.394 -4.432 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -7.857 31.584 -22.947 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 0.477 10.976 -16.822 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 -3.901 6.893 1.405 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -2.704 7.255 0.524 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 -5.528 0.935 -6.723 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -1.982 1.699 -3.146 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -3.043 -0.016 -1.699 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 1.460 4.230 -7.253 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -8.172 -3.301 4.960 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -18.709 -31.424 -6.029 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 8.338 33.581 7.192 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 3.074 1.192 -1.437 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 -6.392 -8.127 10.937 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -3.710 -2.359 -19.531 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -0.586 -4.189 -5.550 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 5.482 -1.591 -4.692 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 -0.046 3.981 -1.987 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 0.769 -4.922 -2.003 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 -10.541 -15.692 10.400 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 -6.503 -3.567 4.678 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 0.701 -0.899 -5.668 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 -9.453 -9.629 12.173 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 14.598 -13.344 -5.009 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 2.434 1.508 -1.222 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 9.423 6.758 -5.910 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 11.084 -7.208 -9.390 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 -4.479 -4.521 -1.966 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -7.664 9.143 7.726 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 -3.117 -1.701 -1.436 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 2.682 -2.184 -5.464 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 2.058 5.293 3.855 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -21.826 -2.778 20.926 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 -3.911 1.016 -1.117 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -13.177 17.241 -14.525 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 -1.169 8.735 4.941 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 1.487 -1.401 5.978 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -0.257 -4.439 5.550 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 -3.538 -9.216 1.954 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 0.452 1.650 -4.406 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 23.556 -11.471 -22.408 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -7.833 8.988 3.382 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 6.133 -2.038 -7.240 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 22.734 17.040 -25.304 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 9.499 9.434 -4.502 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 1.041 -6.057 -3.928 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 1.561 2.216 -13.861 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 0.021 -10.762 -1.387 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 -0.278 0.587 -1.467 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 -8.985 -1.452 10.232 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -6.488 -7.219 -11.113 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -4.705 8.310 -4.887 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 7.011 -3.709 7.533 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 -5.767 -7.096 2.656 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -4.265 0.241 0.396 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 7.102 -21.470 33.408 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 3.290 -0.618 -14.363 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 1.509 4.401 -3.625 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 2.448 5.712 -0.986 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 0.550 7.430 -6.825 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 -8.527 -2.673 1.375 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 -10.840 0.652 -1.758 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 -15.853 0.678 7.412 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -3.584 5.201 -3.873 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 15.972 -5.076 25.314 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -0.217 -10.595 -26.917 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -4.591 0.359 -2.079 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 -2.171 -2.632 0.042 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 1.830 -8.520 7.798 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -1.321 -3.685 0.491 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 5.125 -6.653 17.490 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -4.608 -10.504 4.846 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -0.029 -2.344 0.257 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 7.732 3.620 8.909 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 10.986 -7.634 -5.659 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -0.394 0.940 -0.641 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -19.155 5.169 5.578 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 3.273 0.351 14.512 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 1.341 -7.481 4.827 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -3.495 -6.034 9.072 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 -1.318 -5.315 1.461 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -6.821 3.648 -8.247 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -21.246 -3.696 14.490 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -9.824 -9.016 8.714 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 8.153 5.815 2.402 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 24.398 -11.185 7.591 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -7.960 -15.994 -23.733 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 7.907 -0.375 -3.463 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 -0.862 9.481 11.063 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 9.604 1.562 8.573 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 -1.058 -5.730 -6.272 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 26.967 -12.582 22.392 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 0.116 16.877 -19.710 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -0.028 0.211 2.062 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 0.364 17.977 20.225 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -24.229 -1.457 -4.099 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 2.908 -3.135 5.893 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 2.283 -5.451 7.267 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 -18.465 -15.964 5.063 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 -3.916 -0.695 -2.508 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -3.660 -1.296 0.980 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 -3.232 -0.038 -2.695 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -7.267 -0.954 -0.275 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 -17.376 4.937 -23.684 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 -17.536 -12.034 16.046 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -3.913 3.909 0.799 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 0.755 16.437 -14.775 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -2.706 -4.044 28.188 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 4.250 0.600 -6.651 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -15.267 13.549 -2.460 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -7.822 6.184 -0.170 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 0.894 -4.571 -5.841 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 0.208 2.806 -8.408 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 5.528 -5.131 0.538 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 0.575 -1.105 1.313 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 2.116 1.831 1.861 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 1.169 10.386 0.679 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 -5.214 0.905 -4.415 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 0.056 5.324 -1.134 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -12.876 16.569 -2.115 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 3.324 -0.334 -2.470 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 18.753 1.462 3.308 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 4.889 -3.769 -1.434 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 2.756 -0.975 5.389 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 -14.498 -13.471 23.829 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 -1.684 -5.475 14.598 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -3.667 -9.788 2.376 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 3.269 -20.929 19.973 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 -20.026 4.587 9.688 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 -2.374 -1.042 -1.804 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 8.993 -4.841 0.646 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -10.710 1.974 -7.452 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -2.855 7.872 1.467 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -22.340 6.182 5.065 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 8.460 4.597 21.436 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 -1.315 2.160 -5.498 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 2.308 -2.966 -12.247 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 -1.656 9.221 3.644 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 6.381 2.463 -5.059 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 13.301 1.662 -4.642 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -5.052 0.284 -4.701 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -4.040 3.255 -3.607 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -26.688 3.726 6.477 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 2.608 1.255 -2.722 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 -1.938 1.375 2.105 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 -0.463 0.913 -5.790 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 -5.992 2.387 14.954 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 -6.384 -5.976 6.019 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 -8.807 -11.685 -10.471 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -13.568 -21.264 20.993 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 3.270 1.958 4.644 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -0.276 -27.646 9.101 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 2.950 1.681 1.382 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 -3.178 4.615 3.069 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 27.530 -14.513 5.630 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 0.098 1.965 -30.400 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 5.417 3.514 -4.881 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 20.894 4.357 13.813 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 4.665 -6.582 11.179 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 4.271 -2.827 -0.648 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 8.278 -10.340 -12.557 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 -9.431 -8.466 3.134 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 -3.408 1.403 1.766 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 -30.570 -3.899 11.852 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 7.665 2.127 -17.214 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -1.845 -5.982 -0.601 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 -5.036 6.419 22.987 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -15.817 4.966 5.154 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 1.028 2.720 -1.592 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 -5.256 -6.475 -2.250 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -15.104 -25.024 -4.477 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 2.175 -6.432 -0.136 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 2.336 0.448 -0.350 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 10.086 18.031 10.819 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 9.950 1.144 3.588 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 9.960 1.026 -2.303 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 7.840 2.998 21.778 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -6.841 0.688 -0.604 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -7.937 -2.683 -1.360 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 17.996 -7.153 21.376 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 4.133 -1.988 -1.932 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 7.294 0.500 22.122 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 7.431 -1.451 -27.561 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 4.249 -0.532 -0.004 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 10.398 -16.702 0.504 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 2.035 -10.053 14.887 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 7.212 -3.164 8.497 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 -2.257 -24.666 5.409 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 6.265 -2.751 3.026 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 -5.761 -1.303 2.400 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 8.336 -18.954 4.116 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -13.813 -3.474 0.007 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -1.261 -0.154 2.884 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -10.911 -9.040 -1.292 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -3.770 -11.252 -9.367 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 5.018 3.035 1.504 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 10.157 20.847 -9.272 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 1.983 -8.206 13.739 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -2.359 -5.468 -0.603 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 28.637 3.434 1.635 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 16.419 -7.804 14.272 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -3.746 -2.495 -0.902 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 2.288 -4.457 -4.135 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 17.410 -3.662 -3.789 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 1.568 3.490 -0.871 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 -26.920 15.248 26.242 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 4.043 0.102 4.666 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 0.074 7.578 0.035 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 0.379 9.770 -1.315 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 -26.580 -22.866 40.172 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 -10.685 1.950 -4.461 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 -9.846 2.739 4.510 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -6.993 1.283 -0.185 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 1.865 0.698 -2.049 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 12.760 -11.540 -3.509 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 -26.546 6.492 -11.816 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 0.929 0.535 1.655 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 1.016 -4.434 25.245 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 -4.279 -19.980 -8.580 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -7.660 -0.229 3.639 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 4.028 11.145 6.452 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 -32.510 -19.326 2.458 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -1.521 -5.490 1.620 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 1.431 -10.036 2.851 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 -3.562 -3.445 18.282 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 1.907 -6.486 -5.121 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 8.898 -12.656 -8.565 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 3.653 -14.422 3.463 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 0.487 8.523 -1.468 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 -1.719 4.179 1.427 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 2.059 8.687 -9.425 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 2.332 7.547 1.882 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -4.846 -4.048 -16.049 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 15.375 -2.739 13.369 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -4.188 -1.979 1.946 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 18.033 -13.423 15.785 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 -2.802 14.711 11.489 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 2.125 -4.604 1.454 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 22.142 4.933 5.935 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -2.353 -2.318 -9.400 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 1.690 2.892 4.341 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 8.242 -2.415 -9.372 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 15.064 -3.356 -9.196 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 -0.599 2.022 -1.067 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 21.871 1.792 -19.138 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 -17.755 4.033 12.351 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 -1.252 -3.584 0.012 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 -9.608 5.213 9.791 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -3.444 1.577 -10.966 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 2.668 0.633 -1.444 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 7.872 -16.935 -1.825 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -9.343 20.301 8.305 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -1.331 -1.660 3.886 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -8.399 -7.730 5.624 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 1.809 -0.885 -7.843 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 -2.453 1.180 -0.281 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 18.836 1.180 -4.543 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 -7.038 0.845 -3.430 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 -5.220 -3.689 7.450 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 -13.349 -8.998 -9.172 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 -7.304 -14.100 5.505 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 -3.734 -3.015 -2.801 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -7.401 -10.003 -4.363 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 -2.582 -4.256 0.057 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 1.583 5.558 -5.303 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 -4.634 -15.489 -6.805 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 1.618 6.511 -24.208 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 -4.709 8.025 0.291 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 24.520 -9.148 1.753 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 -2.780 1.849 0.044 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 1.426 -1.023 -0.264 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -5.568 5.715 -11.308 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -15.631 16.147 -29.773 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 6.026 0.756 -1.702 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -7.906 -10.540 -23.185 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 11.919 2.458 -1.798 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -7.132 -0.157 4.190 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 0.404 6.703 7.471 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 12.410 15.140 12.757 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 3.507 5.836 -0.449 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 12.036 9.072 2.390 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 10.355 5.629 -2.503 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 4.466 3.343 -1.437 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 2.912 5.090 -1.720 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 3.297 7.403 -2.644 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 0.102 3.464 -2.027 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 -1.061 8.527 -2.961 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -0.709 0.547 -0.883 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 1.039 0.696 -4.709 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 -3.749 -5.669 7.755 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 8.123 11.026 0.012 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 9.535 -12.319 -0.940 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 -3.155 -7.406 5.724 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 14.169 5.743 -9.698 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 -3.633 0.999 -3.873 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 9.223 -9.444 -12.041 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 -6.913 1.048 -2.975 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 2.304 -2.733 0.339 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 3.315 25.339 -17.630 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 3.220 -1.906 0.706 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 -3.356 7.161 -4.902 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 -4.952 5.747 -12.326 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 9.809 1.949 2.553 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 6.749 -1.646 1.285 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -16.120 1.666 -4.938 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 -4.223 -17.883 -17.557 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -0.184 -4.258 5.642 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -1.278 -4.924 6.355 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 -2.363 -10.254 3.266 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 2.640 -0.480 3.095 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 2.977 -14.897 -14.115 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 -10.317 -2.264 3.102 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 3.665 4.214 7.777 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 -9.503 1.844 12.050 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 1.041 -4.496 24.134 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 -3.291 0.068 5.801 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -2.337 -2.844 10.743 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 30.636 -23.704 0.379 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 0.973 -5.107 0.523 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -7.597 -13.894 -16.255 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -1.466 -4.517 -2.850 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 1.870 2.254 1.021 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 5.941 9.215 -7.689 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -0.129 0.346 -6.865 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -0.133 1.273 -6.049 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 3.347 -4.288 -17.547 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 2.942 -0.875 9.510 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 9.440 -4.559 5.402 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 10.544 -5.570 9.309 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 -1.686 -6.156 5.159 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 1.588 -1.344 -1.210 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 -5.309 1.958 -1.251 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 18.350 -16.846 5.389 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 -6.751 -5.347 6.244 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 -2.158 -22.383 -3.097 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 -24.896 32.124 2.576 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 1.234 -3.692 -5.404 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 5.555 -9.490 4.645 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 11.595 -3.555 2.250 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 -0.471 -1.916 -0.716 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 -3.755 3.759 -14.817 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 8.099 -6.335 -21.938 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 2.471 -5.931 0.140 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 19.230 1.293 3.700 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 1.139 -8.164 1.056 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 3.661 6.074 -3.927 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -2.748 -29.554 -7.917 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 6.095 -18.531 3.032 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 1.764 4.345 -1.225 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 11.687 -5.536 -1.216 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 13.669 -3.420 -2.843 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 1.958 5.190 2.200 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 3.692 10.859 -11.627 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 -3.362 -3.298 12.291 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 3.955 -3.323 8.248 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 7.079 -14.849 7.138 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -6.785 18.312 11.056 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -0.175 3.486 -0.642 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 -4.444 -12.209 -14.749 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -10.786 8.198 11.292 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 1.044 4.815 -0.376 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 -2.436 0.910 -2.379 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 -1.747 -0.185 -3.825 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -4.686 -1.347 -0.743 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -10.169 -5.103 0.979 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 2.327 -0.267 16.648 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 -0.407 -1.847 2.639 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 -15.826 -9.625 4.191 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 -12.046 -8.905 3.418 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 -0.651 1.079 -3.266 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 -23.210 0.006 11.534 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -0.371 -9.173 -3.521 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 1.391 -4.861 1.214 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 9.346 -14.542 5.125 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 11.675 -18.247 4.373 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -0.911 2.353 -4.000 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 21.440 0.745 6.794 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -15.565 32.543 -1.967 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 6.676 1.648 -6.290 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -7.213 1.913 0.213 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 8.663 0.322 -11.170 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 -2.432 -5.473 -0.937 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 0.058 -6.023 -3.408 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 2.612 21.654 -1.814 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -3.094 -4.205 -5.370 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -29.813 0.180 16.921 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 10.706 -29.670 -25.248 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 4.698 -2.097 4.100 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 21.328 -12.118 24.248 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -15.015 -0.916 -1.805 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 0.816 -2.657 -5.314 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 12.158 -15.619 -2.166 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 6.516 2.928 -0.592 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 3.698 0.196 -3.177 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 -2.719 -1.045 -2.086 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 11.424 -2.589 -7.449 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 -10.706 2.754 -4.202 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 -14.147 10.027 -20.179 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -10.183 -7.280 8.528 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 8.376 4.407 9.143 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 14.345 -2.704 -14.864 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 6.165 -13.823 14.195 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 2.214 -1.618 -2.177 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 14.092 4.286 -1.464 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -2.254 -14.698 -4.976 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -1.494 5.686 -3.028 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 -3.911 -1.570 0.073 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -2.542 21.204 -21.273 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 3.715 -4.837 2.547 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 12.108 13.115 -10.515 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 12.903 -0.580 22.422 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -4.091 -3.350 -2.476 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -8.568 7.549 11.131 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 -10.134 12.788 27.454 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -5.642 0.705 3.734 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -5.506 -14.722 -6.912 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 -17.316 -0.233 -8.052 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 4.078 4.000 1.686 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -7.983 -5.207 -13.390 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -3.548 -8.327 -6.394 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -2.558 6.189 4.593 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 11.514 19.394 -1.864 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 2.539 8.969 8.710 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -0.853 -7.486 -3.137 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 -7.949 4.393 -23.943 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 -2.348 -24.054 1.404 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 0.627 -6.402 0.305 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 1.278 1.826 18.271 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 -0.397 -10.834 10.109 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 3.043 -3.835 5.069 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 -5.071 -0.859 4.664 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 1.837 1.313 -1.361 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 2.709 3.023 1.022 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 -12.601 14.715 20.734 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -0.012 5.782 4.645 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 -9.296 1.175 3.744 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 -11.046 -8.724 14.498 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 -11.385 2.881 17.169 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 -4.985 -7.249 3.967 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 8.806 9.513 20.882 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 -4.384 -10.215 -2.091 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -3.090 10.100 -8.045 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -3.844 10.195 -17.466 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 -2.376 10.774 0.800 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 0.595 0.598 3.298 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 1.959 5.157 -6.887 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 8.170 -5.005 -0.766 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 1.467 -1.701 1.638 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -1.802 2.289 -2.125 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 2.479 3.002 2.724 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 0.619 -1.904 -3.022 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 5.529 -9.569 14.505 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 -2.283 2.326 -8.594 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 1.249 -4.138 -2.723 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -21.500 -3.221 14.488 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 16.476 18.928 -16.316 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 0.193 5.572 -2.696 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 8.168 5.169 -1.019 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 6.403 3.297 1.414 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 0.965 4.082 -0.656 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 1.773 27.654 1.974 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -2.718 5.059 17.826 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 4.529 5.925 2.957 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -15.472 0.988 -7.500 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 14.272 -13.800 -3.814 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 1.654 -1.611 0.588 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -12.297 -11.330 -23.642 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 22.679 -2.912 -8.164 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 2.631 -1.733 -3.325 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 0.050 -5.451 -7.753 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 -0.481 7.661 1.906 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 1.190 0.620 -1.230 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -1.061 -3.308 -24.365 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 -13.863 -6.015 -2.898 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -2.483 1.903 1.086 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 7.027 3.050 16.468 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -0.672 -2.958 -8.271 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 7.047 2.024 1.627 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -0.354 23.602 15.507 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 11.937 -10.255 -1.797 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 2.756 4.682 1.002 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 -9.320 1.008 5.963 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 9.208 0.086 -1.656 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 1.787 2.801 8.848 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 4.693 -3.303 -6.480 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 9.989 -16.644 6.489 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 -0.956 -1.186 5.498 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -14.376 25.883 -14.326 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 0.980 3.120 -3.505 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -0.022 2.067 4.418 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 -5.938 -10.275 -2.871 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -8.044 -8.153 2.574 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -1.419 5.139 -0.197 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 13.451 15.690 -0.173 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 -30.196 20.061 -17.159 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -3.506 7.985 1.318 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 1.571 3.917 2.009 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -10.911 9.116 -0.617 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 5.863 -6.391 -5.090 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 8.439 -9.407 -5.815 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 3.740 -6.442 -4.419 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 3.142 2.210 -7.018 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 -12.462 -5.705 -13.380 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 25.395 -5.423 -22.768 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 -3.703 5.854 2.939 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 6.473 -0.306 25.661 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 -0.734 4.815 8.984 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 -3.033 -1.107 -0.813 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 -7.069 24.651 25.686 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -10.522 -1.208 -0.003 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -0.526 -3.516 -0.976 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 -12.616 -6.007 -12.185 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 -26.466 -0.020 5.891 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 0.666 3.794 -1.268 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 17.115 11.915 9.062 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 -9.143 18.473 -7.401 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -3.090 0.852 -0.264 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -9.493 18.156 -10.090 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -19.602 -12.594 -2.276 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 -1.074 -0.454 1.121 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -2.151 2.769 4.715 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 1.583 -5.721 5.521 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 -12.352 1.033 -1.135 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 3.537 1.035 9.075 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 35.270 2.526 27.875 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 -5.310 -0.663 6.854 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -0.101 -1.281 12.039 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -0.952 4.436 -9.937 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -2.008 -6.254 1.099 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 13.000 -12.266 -22.327 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 -10.060 -8.729 3.079 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -0.621 -0.166 5.511 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 7.941 -13.898 -12.268 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 6.256 3.833 2.617 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 -2.623 -0.271 -4.739 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 -15.592 2.570 -12.588 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 14.826 12.315 -5.383 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 -2.001 6.122 -5.426 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 6.012 18.456 -0.651 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 -3.024 -0.878 4.118 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -3.844 -1.186 3.859 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 3.733 2.288 1.076 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 20.761 -5.329 -8.475 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 4.426 -1.475 1.192 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 3.307 0.061 0.146 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -3.437 -10.897 19.090 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 -5.050 -0.017 4.801 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 -9.422 -6.911 7.731 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -6.510 -17.895 -6.480 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 8.936 1.048 -0.381 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 3.501 2.848 2.866 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 9.004 -1.856 -1.123 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -2.532 3.059 -0.792 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 -8.056 11.025 -0.565 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 -0.462 6.515 -5.791 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 5.475 -2.928 2.429 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 -14.337 3.885 -12.971 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 18.308 -2.139 -2.132 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -0.300 -0.967 2.328 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 9.493 0.428 -4.086 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -6.105 -1.274 3.103 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 5.792 1.206 0.650 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 2.003 -1.767 -1.235 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -2.311 -11.495 -3.921 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 6.453 -4.589 -0.071 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 6.563 19.192 25.088 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 12.559 3.197 -8.633 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 1.254 0.979 1.238 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 12.713 -17.697 3.119 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 5.174 -1.591 6.308 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 1.153 -0.894 -0.773 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 19.942 -20.675 -2.998 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 7.092 -7.477 -2.317 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -1.019 14.873 -0.642 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 -1.934 2.713 -0.400 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 7.297 18.963 1.105 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -1.267 -1.392 -2.524 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -1.966 9.095 6.596 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 9.914 -19.243 -18.298 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 6.341 1.008 -4.503 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 7.317 3.440 0.897 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 -8.805 -5.676 -0.949 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -2.659 2.439 8.242 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -13.629 11.398 10.701 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 9.559 -0.729 10.388 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 0.804 2.463 -0.124 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -10.600 -17.859 4.875 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -12.773 -36.687 -6.896 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 3.528 -3.397 -0.450 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 5.859 7.897 3.545 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -3.705 -19.440 -10.859 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -1.554 1.285 5.955 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 15.171 3.379 18.661 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 1.551 12.695 -9.416 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 -0.710 -0.452 2.150 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -0.162 0.777 13.384 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 5.170 7.756 -2.411 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 -0.495 2.820 0.328 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 4.926 -1.875 3.670 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 20.949 -2.619 -2.560 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 5.341 9.432 3.831 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -2.471 13.174 -0.758 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 8.266 18.723 8.843 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 1.279 1.400 -1.015 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 -1.799 8.589 4.652 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 11.003 1.310 -0.621 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -2.153 -3.038 -2.540 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 -9.429 -2.275 1.043 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 3.283 -6.041 3.009 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 7.957 -4.094 4.693 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 2.248 -5.374 -0.368 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -3.265 -2.894 -14.115 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 -0.157 3.689 1.774 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -16.757 -3.144 -17.976 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -15.420 18.379 18.467 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -2.694 -3.296 2.482 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 13.885 -26.457 -7.448 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -12.398 0.978 10.373 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 2.960 6.873 2.777 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 3.581 5.979 4.772 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 -1.540 -5.852 6.412 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 2.050 3.138 4.867 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 -1.579 0.862 9.991 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 7.714 5.623 2.800 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 0.331 -2.377 -0.784 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 -2.377 16.253 9.683 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -6.484 8.864 30.039 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 -2.494 0.502 1.983 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 -4.862 0.410 2.312 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 3.269 -12.693 10.659 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 4.688 4.068 -0.850 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 4.085 -0.647 -4.764 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -0.817 1.915 10.106 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 -1.926 -4.302 -6.789 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 2.772 -20.674 -8.947 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 -0.592 17.431 -7.285 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -3.014 -3.639 3.631 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 10.198 -14.770 -0.119 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -7.893 -13.688 11.284 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 0.374 -2.488 2.040 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 -1.636 -9.115 0.712 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 -9.328 4.034 2.349 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -2.892 -4.716 2.899 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 -5.916 6.661 -4.111 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -20.234 -11.109 -9.469 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 3.848 7.009 -3.029 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 3.707 3.358 -5.435 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 2.249 3.417 -7.711 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 -0.706 -2.350 -4.643 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 5.455 1.830 -5.739 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 1.000 -2.882 0.304 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -2.675 4.408 4.096 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 10.142 0.826 8.466 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 0.489 11.735 -7.866 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 1.532 1.377 4.864 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 5.141 0.467 20.089 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 1.201 0.949 3.999 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -4.434 -3.743 1.121 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -3.667 -2.515 -31.803 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 13.410 6.859 -3.217 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 5.677 0.880 8.867 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 13.545 12.400 2.497 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 13.138 11.236 3.395 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -0.011 4.265 5.121 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -7.565 -8.076 21.310 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 22.791 1.859 10.889 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 -5.956 6.709 -2.252 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 -16.260 21.439 15.403 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 -26.133 -12.835 -7.300 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 2.608 -4.742 1.128 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 4.778 -2.168 -16.511 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 18.854 -5.898 -0.579 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 8.565 1.160 -0.024 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 11.266 -1.067 -2.694 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 10.086 -19.637 3.230 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 2.976 -4.000 -1.327 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 -9.797 10.638 9.061 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 28.105 -13.675 -11.372 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -7.093 3.778 3.563 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -9.491 -1.012 -7.714 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 13.716 -2.821 -1.369 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 0.162 1.350 0.076 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 1.490 0.739 4.983 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 0.214 -1.174 2.800 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 0.603 1.631 0.639 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -0.503 2.187 17.713 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 -15.919 -19.145 -1.568 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 -0.325 -2.269 5.220 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 -3.632 0.083 2.599 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 -15.145 -18.061 -7.122 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 -2.815 2.195 2.064 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -6.283 -3.287 12.367 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 -9.487 -2.864 -6.017 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -1.494 0.656 -1.008 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 -1.744 -20.825 1.171 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 6.844 -9.339 -10.881 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 2.188 -4.022 -3.656 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 0.467 -10.685 -10.327 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 4.621 -3.757 -2.707 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -0.275 2.927 -0.611 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 3.325 0.068 -9.719 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 2.065 -21.295 -0.807 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -0.709 -1.735 -0.235 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 0.984 -4.761 11.088 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -12.503 6.030 -4.260 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 2.786 5.217 3.209 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -1.537 1.854 6.241 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 4.640 7.660 5.167 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 0.916 -1.333 -1.361 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 6.461 21.449 -16.453 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 25.396 -13.354 3.611 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -4.411 1.088 0.313 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 -1.193 3.646 -9.952 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 1.067 -18.904 -1.854 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 -2.256 -3.234 0.624 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 -21.453 29.503 -3.934 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 6.503 -15.936 -16.306 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -0.392 -4.015 -3.618 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 -9.842 9.126 -6.376 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 -6.820 -5.314 -14.602 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 1.523 -3.054 3.426 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 2.884 3.260 8.569 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 7.031 -0.920 -3.605 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -4.568 -3.113 -4.982 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -4.812 -2.918 -4.563 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -10.206 -18.727 -8.607 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 2.837 -4.832 3.557 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 0.566 -13.454 33.275 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 17.695 -27.994 -12.196 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 4.763 3.196 3.445 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -3.013 2.541 1.578 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 -5.088 20.123 20.085 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -3.892 2.526 -6.985 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 8.471 16.429 2.280 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 6.614 -5.050 3.572 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 8.679 4.245 -1.083 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 2.131 7.733 -2.154 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 21.555 1.785 0.326 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -8.690 -5.360 -0.475 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -13.066 -37.979 -0.417 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 9.668 -1.403 -9.939 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 -0.435 -2.405 -1.950 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 10.876 -10.922 4.961 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 -3.584 3.722 -0.893 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 2.251 -8.039 2.025 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 4.888 3.789 -7.850 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 0.202 -13.718 7.233 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 0.841 -4.749 5.767 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -3.451 -9.072 9.964 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 27.219 -9.175 -2.461 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 1.165 -0.596 -9.260 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 1.901 -1.296 -11.613 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 0.177 0.890 -7.835 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -0.590 2.960 0.601 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 -43.066 8.025 3.383 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 2.867 11.112 -19.701 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 -3.900 3.097 2.375 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -8.717 -0.256 2.404 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 -0.525 10.892 10.129 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 0.774 5.085 -2.968 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 -9.168 4.877 -1.879 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 3.424 12.250 2.160 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 -0.008 0.942 -9.202 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 9.430 15.353 0.817 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -16.124 4.939 38.426 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 3.030 0.942 -3.686 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 6.625 16.331 -1.830 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 17.434 -4.997 18.044 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 6.382 1.461 -2.119 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -5.965 -2.964 -7.015 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 -5.609 9.116 -10.519 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 4.054 -2.941 -5.774 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 11.093 -7.917 -3.391 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 12.052 0.899 2.693 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 1.499 11.564 -5.050 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 4.802 3.446 15.443 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 2.236 12.024 -8.842 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 1.840 -2.273 2.046 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 3.658 11.323 -7.354 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -7.655 4.478 0.609 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 8.573 4.474 -1.989 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 -2.402 10.012 -12.751 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 3.251 -19.035 -12.786 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 -0.969 -1.519 -5.955 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 -12.839 -1.006 8.551 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 -5.706 -14.820 -2.506 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -6.129 -1.469 -7.193 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -1.504 6.172 1.735 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -10.218 -5.507 -12.980 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 1.101 5.400 2.332 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 0.882 -0.298 -2.698 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 -6.372 3.766 -12.947 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 1.172 -0.693 -7.435 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 0.436 3.229 -18.443 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 7.350 11.620 -0.165 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 2.710 -3.594 -3.869 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 -9.871 -2.122 8.505 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 12.510 4.685 -23.036 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 5.990 3.611 -2.891 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 15.346 5.945 7.158 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 -11.241 -6.148 4.203 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 -2.937 -3.297 5.099 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 9.522 -12.785 -18.638 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -0.341 -4.798 0.507 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -4.823 1.523 3.642 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 17.342 3.219 -13.171 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 4.493 -9.152 13.774 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 -6.412 -2.235 4.460 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -6.022 -3.146 3.378 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 7.251 -22.741 -1.635 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 3.962 -4.268 -2.284 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 4.049 -5.567 -22.115 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 11.133 -7.418 -1.446 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 4.708 0.574 -3.940 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 11.150 -2.919 -8.830 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 3.194 7.353 4.446 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -0.044 2.199 2.532 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -22.090 28.636 5.160 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 12.558 -8.726 22.845 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 -2.328 -4.874 -0.298 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 17.004 -22.594 5.249 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -21.589 17.877 13.820 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 -4.907 4.357 -7.335 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 3.466 -21.134 -14.123 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -1.578 2.849 -4.553 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 -4.827 -2.861 4.815 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -21.358 -9.638 -3.664 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 -22.806 0.509 15.230 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 -7.869 0.310 -3.363 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 7.483 0.851 1.889 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 -1.788 -0.578 -2.502 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 4.958 6.244 4.157 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 5.669 -14.238 2.412 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 9.224 10.280 1.946 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 6.174 0.559 -4.765 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 -33.745 16.209 -14.451 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 17.656 25.636 1.095 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 2.213 4.004 1.418 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 3.448 -8.225 24.993 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 6.303 0.671 6.696 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 0.771 -0.212 -5.801 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 -5.126 -6.646 1.745 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -10.811 9.031 -4.162 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -0.478 7.018 1.717 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 18.463 -0.818 -6.874 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 -12.258 4.039 0.917 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 1.974 -4.926 -0.642 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 -0.712 -27.985 4.169 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 33.397 -13.345 12.427 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 -5.263 -0.555 0.165 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 -5.049 16.719 -17.050 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -22.733 7.448 -9.171 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -2.857 7.319 0.751 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -12.206 -17.609 15.192 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -1.988 2.709 5.449 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 0.383 0.540 2.262 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 0.835 -0.002 -1.159 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 3.978 2.143 19.597 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 0.067 3.615 4.982 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -4.125 10.384 13.685 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 -8.540 -2.303 7.894 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 0.771 1.057 3.938 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 -0.791 -2.799 2.800 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -1.295 1.973 8.246 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 1.111 -2.751 3.428 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 -3.577 11.829 2.125 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 0.570 0.798 1.636 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -3.790 -5.910 5.444 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -3.496 -3.695 -3.795 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 8.538 2.737 -4.965 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 -6.332 -5.276 -6.012 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -1.346 -6.722 6.501 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 3.358 18.296 0.155 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 -3.099 0.552 -2.587 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 13.901 -7.549 3.730 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 -7.833 0.280 21.087 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 -1.332 -2.702 0.306 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -12.034 11.437 -14.136 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -19.018 23.935 -6.567 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 1.895 3.906 4.786 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -7.297 -5.132 3.794 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 -35.804 3.813 -14.213 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 2.986 -0.103 -4.653 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 15.461 3.765 -7.992 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 9.614 2.620 -4.166 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 -0.052 -0.851 0.193 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 29.913 4.404 34.975 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 12.277 37.136 -0.635 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -7.411 -1.920 -1.639 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -3.160 -10.478 12.011 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 9.233 -3.193 -0.067 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 2.499 -1.622 -1.845 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 -0.762 -2.675 4.828 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 -1.385 -3.991 10.815 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 3.551 5.361 4.564 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 6.454 12.305 3.353 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 1.064 6.359 -3.350 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 -4.318 9.821 1.637 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 -11.671 15.927 -23.525 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -6.106 -4.797 -14.556 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 -2.200 -0.150 0.708 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 -0.063 6.924 -6.432 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -4.487 -0.333 -6.922 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -2.548 2.138 -4.583 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 -6.636 3.351 -5.909 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 -14.600 4.857 -10.399 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 3.080 -0.255 3.319 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -15.923 -0.174 2.425 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -7.741 1.738 4.576 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -11.626 2.184 7.574 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 -0.231 14.416 24.690 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -12.908 5.421 20.347 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 1.384 -5.742 3.314 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 2.974 -2.770 12.674 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 8.282 5.569 6.526 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 0.289 1.482 3.070 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -6.550 -4.160 -0.436 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 9.609 2.204 22.120 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 2.559 -8.058 3.901 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 -1.393 -2.506 -3.148 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 -1.559 -15.265 13.355 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 0.135 1.128 -8.869 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 -23.328 7.119 4.187 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -5.415 2.512 0.074 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 2.188 -4.038 0.014 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 11.079 -0.461 7.518 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -2.119 13.306 -27.948 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 2.678 9.834 2.520 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 11.465 19.722 -11.413 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 -16.542 16.765 2.714 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 5.908 1.454 -0.854 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 6.582 -13.990 -2.672 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 -0.544 6.376 -14.406 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 -0.360 2.590 -5.168 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 3.936 -9.271 8.362 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 6.134 -7.042 -12.632 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 1.262 -1.709 0.609 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 6.622 5.412 -3.256 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 30.261 21.166 0.389 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 2.149 4.919 -2.182 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 1.534 2.541 -1.058 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -18.166 -29.775 -3.269 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -7.092 -1.908 7.132 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 -3.989 -24.642 -7.359 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 -8.497 1.062 9.573 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 -5.273 -0.523 -3.901 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 2.491 11.565 -4.057 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -6.686 -8.329 -13.551 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 -6.564 8.687 -1.259 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -3.810 13.204 6.870 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -3.316 13.686 6.129 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 1.872 4.941 1.952 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 16.165 18.659 6.613 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -7.333 -2.580 -11.615 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 4.726 -7.650 3.656 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -1.971 -10.919 0.079 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 10.611 -0.176 -10.131 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -3.354 -0.469 3.059 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 2.046 9.179 8.564 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -7.166 -19.809 -11.885 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 3.824 4.155 4.736 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 -3.514 6.269 5.493 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 8.150 5.821 2.143 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -1.921 3.202 -3.946 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 5.074 5.401 -13.390 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -5.839 2.081 -0.098 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 3.566 -3.643 5.610 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 4.979 1.898 6.883 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 4.049 -2.022 9.294 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 1.495 -1.988 1.761 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 -4.438 2.373 3.932 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -2.280 -5.834 -8.859 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 -5.668 1.728 0.196 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -4.182 10.942 -10.198 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 10.200 6.852 -1.249 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -2.630 4.281 7.088 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 7.493 12.721 21.709 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -3.188 9.088 8.143 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 -1.742 0.346 2.994 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -3.346 -7.965 2.348 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -8.437 -16.945 -40.919 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -3.658 1.426 5.667 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -3.469 1.745 4.919 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 25.020 12.430 -10.185 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 1.091 0.930 -7.187 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 10.073 -7.764 -16.722 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 17.266 29.262 -18.258 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 1.274 3.240 -7.757 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 6.702 -7.356 -11.690 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 -4.228 10.980 -4.138 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 1.785 -0.900 2.224 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 -11.638 -18.218 7.108 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 5.552 9.159 18.216 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 3.289 -2.335 5.876 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 7.832 -1.548 -10.950 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 27.212 4.263 -3.682 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 3.048 1.125 6.612 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 0.977 7.602 -1.873 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 6.102 -4.878 14.028 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 3.164 0.405 0.024 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 2.398 -4.183 -13.942 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 2.126 -6.623 -21.105 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 2.407 1.935 -1.146 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 1.168 8.982 6.892 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 11.584 5.617 -0.424 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -2.850 3.968 -3.001 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 -3.857 5.972 -8.648 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 -2.270 12.360 1.716 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 1.763 1.306 -0.938 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -3.552 -21.527 -14.398 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 1.990 -15.720 -4.653 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -4.365 1.447 4.671 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 6.966 -1.203 4.352 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 -8.405 -7.456 -1.368 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 1.851 -1.258 -5.234 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 -0.746 -30.786 13.994 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -1.634 19.625 -9.649 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 1.644 -3.374 2.245 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 2.849 3.541 8.338 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -5.122 -0.640 0.714 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 1.428 -8.184 -0.091 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -2.301 -23.410 -7.753 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 8.292 -5.373 2.370 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 -0.797 1.400 -1.714 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 2.649 -6.978 -1.598 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -6.836 -4.828 -9.802 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 2.658 5.309 -2.814 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 24.377 -13.396 -21.396 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 -15.255 -18.229 16.511 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -3.613 -0.626 8.862 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 -4.200 -0.052 8.845 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -7.565 5.325 11.257 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 6.178 3.059 0.971 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 -3.517 9.038 6.681 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -1.328 9.927 -9.700 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 3.807 -3.386 -3.787 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 9.602 -0.428 -22.557 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 4.813 11.025 -2.571 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 4.210 -2.267 3.182 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 4.195 15.905 -10.779 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -13.965 0.380 16.646 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 8.000 -0.039 6.417 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 12.614 0.112 9.946 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -24.095 -2.119 -9.841 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -0.907 -2.151 2.348 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 18.104 -17.146 -8.417 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -15.855 19.912 13.397 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 -2.360 0.288 4.054 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 12.569 27.222 -3.048 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -1.814 -0.459 3.733 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 -3.778 -3.689 -1.689 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 -9.182 12.171 0.530 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -8.842 16.211 1.559 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 5.607 1.763 1.376 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -19.644 -0.432 7.758 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 11.927 3.733 -1.714 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 -10.836 4.257 0.599 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 -6.024 1.313 -2.604 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 5.523 8.879 -0.273 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -0.854 -4.498 -3.410 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 6.618 20.708 -5.286 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 -9.731 7.959 19.660 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 -2.348 -5.403 2.975 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 5.424 -9.557 16.582 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -11.206 0.824 30.061 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 1.815 -1.501 -0.916 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 -5.626 -4.575 -6.018 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 0.780 -5.107 3.786 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -4.519 -2.978 0.597 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 -14.103 -2.188 2.236 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 -12.697 -14.604 -15.924 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 -2.752 4.549 -1.371 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 16.655 -13.878 8.506 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 5.061 32.247 -2.173 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 -1.142 -3.559 2.963 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 -11.655 23.815 -24.106 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 -1.865 -10.481 9.262 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -4.775 6.116 -2.365 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -1.583 9.441 -8.938 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 -15.442 12.248 2.987 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 2.281 6.172 3.148 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -1.212 3.408 20.277 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 8.347 23.693 3.118 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 -2.353 0.403 1.124 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 3.269 17.912 7.761 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 5.057 11.089 3.332 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -5.521 -2.076 -3.437 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 4.003 6.867 2.926 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 1.277 -1.451 -12.338 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 0.348 4.932 -6.925 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -1.471 5.289 -17.837 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 -5.456 7.246 20.383 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 3.610 -1.847 -2.759 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 8.168 -14.806 -10.311 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 24.175 9.212 10.325 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 9.561 3.310 -1.166 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 9.290 11.721 0.685 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 17.230 17.877 -6.410 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -2.492 3.059 0.338 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 1.199 15.781 0.388 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 -16.951 3.578 -3.760 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 1.187 -3.651 -6.415 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 26.220 27.585 -11.233 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -5.336 16.687 -24.452 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 -1.595 3.590 7.056 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 4.275 16.567 -6.880 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 -0.518 16.323 -0.447 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 0.515 0.167 6.610 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 -9.894 -4.597 2.426 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -4.955 10.730 -5.368 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 1.871 -0.313 -5.796 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 18.011 9.296 -7.158 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 22.301 9.802 14.788 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 3.872 0.288 4.134 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 15.495 -15.970 -1.042 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -6.538 14.247 8.341 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -4.663 -4.544 2.648 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 5.772 11.310 0.149 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 20.133 11.614 25.243 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 5.111 0.347 0.428 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 15.443 3.937 4.930 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -3.718 2.046 -2.735 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 -4.368 0.561 4.319 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -5.905 -0.006 6.748 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -3.097 7.265 6.451 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 2.213 -4.291 6.750 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -8.406 -3.270 17.839 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 -1.027 -15.818 1.526 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 -5.186 -0.519 3.825 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 -19.763 3.860 13.930 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -2.330 -3.605 6.341 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -0.494 -4.248 -4.890 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -28.780 3.159 -2.304 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 -13.134 -8.265 4.212 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 1.533 -1.768 -2.989 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 -0.127 -12.860 8.713 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -5.988 -7.497 -3.824 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 5.481 0.323 5.125 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 3.251 -3.581 7.232 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 8.673 11.301 9.252 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 -5.632 -4.623 -0.171 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 -9.115 -5.140 -3.429 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 20.244 11.299 -23.992 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 1.105 -2.637 -6.720 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 -8.591 6.252 -3.843 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -2.540 4.545 12.791 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -3.831 -1.294 -3.232 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 -3.382 -3.018 -14.960 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 -15.774 -8.173 4.670 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 -0.415 1.331 2.033 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 -7.619 -14.595 0.173 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -3.609 -3.847 -20.593 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 0.520 0.986 6.371 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 13.546 1.335 -24.745 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 33.131 -13.416 -10.769 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 1.853 0.612 -0.035 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 -16.222 -2.876 4.239 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -2.126 8.887 -0.910 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 -1.318 -0.047 5.117 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 -4.446 2.377 -10.015 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 -8.586 11.894 12.103 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 8.482 -0.009 6.594 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 14.181 3.467 -8.176 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -7.130 -5.736 19.559 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 1.672 -6.522 -11.411 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 -15.592 -11.160 -6.824 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 10.357 9.909 9.069 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 -1.962 -8.159 7.099 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 11.180 0.241 4.386 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 8.931 -4.694 8.180 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 -4.691 -0.738 2.414 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 -2.114 -0.189 2.723 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -15.786 -14.975 20.341 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -5.650 7.691 2.730 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 -2.350 -19.203 -15.237 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -10.728 15.672 -5.945 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 7.866 2.164 -0.466 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -2.886 -3.343 -21.122 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 16.342 13.612 -11.712 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 -4.144 3.319 -3.112 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 10.047 -14.914 -2.754 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 2.132 6.884 -8.243 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 1.638 0.717 0.747 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 14.331 -3.073 3.572 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 14.345 -4.319 -3.707 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 -1.466 4.229 -0.426 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 11.888 -13.737 5.618 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -15.264 21.482 -7.240 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 3.028 1.437 1.594 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 25.524 -12.043 14.407 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 11.519 5.230 -27.020 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 -0.489 -9.039 4.886 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -3.298 -7.672 2.676 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 -4.232 -10.525 4.222 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 4.267 0.203 -3.807 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 9.445 34.921 -6.949 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 -7.351 24.644 -12.803 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 2.229 -0.174 -0.436 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 3.272 -1.253 2.225 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -21.348 4.278 -16.414 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 1.999 2.201 0.690 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -0.394 11.889 -4.826 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 1.847 8.193 -8.807 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 1.505 5.459 2.256 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 14.682 18.401 5.500 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 11.957 1.528 0.542 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 -3.090 -3.336 1.143 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 8.533 0.685 6.515 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 1.780 7.105 13.111 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -4.294 1.766 0.424 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -1.207 5.937 -2.433 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -6.739 -1.200 2.050 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 0.206 0.131 2.557 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 -1.284 3.573 -5.894 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -9.396 -19.241 -13.846 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -0.963 -2.568 1.842 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 2.514 -0.783 4.567 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 -4.364 -4.824 -2.220 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 0.722 1.695 4.983 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 -1.766 -9.812 11.880 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 2.449 -0.026 3.665 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 -1.336 -0.252 7.436 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 18.304 25.077 0.275 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 1.127 -8.586 22.294 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 -0.019 -0.150 3.448 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 -1.904 -6.537 -10.350 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 0.653 0.365 3.853 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 4.693 -2.326 2.844 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 5.146 -4.192 11.682 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 3.763 -10.393 -2.367 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 -2.018 -1.752 -9.254 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 -7.366 3.654 -11.797 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 6.330 3.445 16.471 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 0.861 10.309 3.703 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -7.477 8.429 -5.340 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 5.241 7.280 -3.866 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -1.367 2.196 1.030 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 -2.196 6.804 -3.330 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -12.704 -21.932 -4.221 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -1.676 1.283 -6.770 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -10.765 22.576 -1.911 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 20.105 8.477 -13.053 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 0.439 0.500 -7.748 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 4.382 2.174 -4.603 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -10.782 -5.303 0.635 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 3.101 4.357 2.134 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 29.744 5.553 -26.224 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 7.664 -11.074 15.399 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -4.348 2.340 1.639 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -17.975 -8.307 -7.926 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 -5.935 5.011 27.560 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -1.811 -1.479 -1.433 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 0.014 -7.652 8.325 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -16.691 11.329 -3.328 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 0.140 6.542 -1.890 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 0.581 -2.566 8.935 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 -12.286 2.200 10.035 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 2.179 0.353 -4.487 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -7.575 19.471 -2.929 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -13.208 -12.783 5.158 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -8.198 -5.252 -0.172 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 4.471 -8.413 -7.633 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -21.334 13.985 -2.072 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 -2.679 0.562 -4.690 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 3.232 -1.762 -21.509 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 -15.561 8.747 -5.913 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 -2.657 -4.890 -0.384 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 9.713 3.494 0.444 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 11.509 -5.003 2.031 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 2.397 -2.897 0.694 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -3.258 -16.565 4.257 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 11.714 -2.661 3.570 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 0.111 -3.602 0.571 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 7.612 4.240 0.381 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 -6.293 -1.131 -7.869 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 0.460 -0.071 0.757 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 -13.160 9.431 -1.693 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 7.196 -13.024 2.243 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -0.685 -5.012 -1.150 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 3.712 -6.374 4.059 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -19.455 15.745 -12.136 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -2.792 6.671 0.503 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 42.977 -13.840 14.091 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 -16.940 12.944 -3.589 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 3.669 5.940 3.445 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 2.574 27.454 -35.256 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 4.701 -16.697 44.342 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 2.378 9.268 1.739 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -1.236 23.193 -6.138 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 12.879 12.327 4.342 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 0.056 1.286 2.272 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 18.920 -6.294 -9.575 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 16.607 -1.029 5.013 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 2.913 8.919 -4.926 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -7.278 -2.307 19.250 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -9.161 4.616 -13.626 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -4.057 -2.973 4.110 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -17.430 12.323 7.496 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 1.546 -11.929 12.094 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 3.247 5.543 -3.731 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -19.316 -18.405 -4.290 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -0.250 -7.313 7.270 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -7.049 -6.005 -2.353 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 12.372 19.703 4.872 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 6.155 11.171 0.029 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 0.231 -5.212 5.293 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 13.654 -23.039 -4.125 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 -17.093 7.604 -11.355 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 1.499 -5.874 4.544 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 -14.584 7.349 7.136 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 15.624 -17.585 -20.680 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 -7.145 -6.948 3.499 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 1.890 4.992 -8.533 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -4.975 -5.162 14.915 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 0.843 -3.591 -6.704 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -4.829 -0.636 1.566 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 9.605 -12.152 -3.489 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 -5.197 5.444 1.040 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 12.858 -6.907 12.679 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -7.143 -10.148 -14.614 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 -7.926 -3.710 4.716 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 -29.107 2.603 10.195 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 9.158 21.065 2.395 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -0.859 3.331 2.785 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -4.902 14.116 5.940 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 15.410 5.219 3.121 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 0.928 -4.506 0.370 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 -0.943 -1.548 0.873 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 -6.686 -3.769 -4.467 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 -0.872 -1.220 -5.284 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 4.176 7.645 2.003 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 30.592 33.594 -28.727 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -2.492 0.704 -0.890 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 6.740 -22.401 -20.974 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 4.713 -3.760 -9.260 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -7.474 -2.224 -0.248 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -1.010 11.681 -6.749 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 3.003 -9.191 1.559 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -0.445 2.714 1.818 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -0.849 5.397 -11.944 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -2.777 10.681 -2.210 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 0.728 -3.226 0.263 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 1.270 10.847 9.505 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 4.645 -10.938 15.308 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 5.139 -5.032 -2.781 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 0.574 -3.109 -1.980 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 4.314 -14.609 0.711 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 8.023 -6.754 -3.524 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 16.014 -21.878 -11.621 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -3.815 -12.447 13.810 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 -3.590 -1.649 0.545 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -11.354 3.167 -16.228 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 21.875 -12.918 -7.424 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 2.118 0.769 2.488 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 6.943 0.593 -4.096 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 12.417 -2.326 0.375 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 0.766 1.852 4.467 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 3.038 -0.316 8.519 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -6.576 11.744 -2.889 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -4.452 1.717 3.608 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 3.013 -0.685 0.099 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -13.893 -6.466 -4.515 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 -3.213 1.214 -0.336 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 0.240 -13.975 14.551 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -14.421 16.185 13.032 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 5.580 -0.572 0.801 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 2.231 14.623 -2.256 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 -1.208 23.120 -4.797 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 -1.114 -0.135 3.760 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 -3.164 -1.241 3.657 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 -8.177 -11.889 7.838 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 -5.213 -4.267 1.931 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -18.999 -14.860 -6.986 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 2.676 -10.419 2.254 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 -4.062 1.087 -2.668 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 -15.970 -2.632 8.095 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -31.163 9.157 8.314 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 3.119 5.616 2.146 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 -40.752 22.345 17.683 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 9.791 2.559 -1.318 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 4.566 -6.391 4.008 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 2.098 -0.440 -4.951 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 3.305 -13.276 6.796 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 -6.396 -8.478 -3.941 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -1.658 14.113 -1.678 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 -7.385 -20.215 -2.304 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 2.807 0.114 -1.179 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 18.027 3.757 -30.845 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 1.059 0.784 1.561 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 1.051 -4.379 4.477 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -9.840 28.700 -1.447 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 1.327 -9.144 4.075 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -1.209 10.385 1.097 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -23.242 16.202 5.543 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 39.050 -1.480 12.144 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 3.537 6.089 4.043 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 17.699 6.799 8.980 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 4.357 10.664 7.098 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -3.554 -1.526 2.167 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 13.294 16.093 11.674 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 -29.148 -2.574 8.553 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 -8.897 0.695 1.498 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -15.620 26.272 11.971 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -11.321 -18.892 17.233 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 3.293 5.741 0.636 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -19.961 -23.247 5.170 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 -8.520 4.540 4.644 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 -2.401 -1.710 0.052 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 15.884 -13.909 1.888 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 5.791 -21.020 14.200 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -5.787 -2.393 2.582 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -12.230 -17.001 -2.786 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 12.840 5.170 4.742 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 8.737 -4.512 -5.580 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 18.164 4.167 1.761 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 8.656 -8.335 -7.889 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 1.088 -0.164 -1.676 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -19.422 3.557 13.329 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 23.659 -11.022 19.142 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 -0.958 -2.121 -3.175 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 0.159 -15.113 -9.705 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 12.604 -2.307 -8.249 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 -2.909 -1.762 4.364 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -5.380 -3.256 -6.504 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 0.984 1.547 19.618 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 5.707 1.456 -1.874 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 14.668 18.411 -21.983 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 23.314 5.626 -4.749 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 -6.071 -1.278 4.730 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 -2.272 7.301 3.800 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 -3.530 3.362 -10.849 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 0.459 -5.122 -0.166 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 -1.694 -16.652 -3.112 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 -1.146 2.519 8.489 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 2.287 -2.783 5.895 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -11.867 -10.170 3.322 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 7.112 13.039 -10.703 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -5.906 -3.897 4.491 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -5.282 -8.382 11.092 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 6.388 -17.931 -2.719 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 5.279 -5.395 -3.106 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 6.825 -5.365 1.189 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 -2.008 -13.131 -9.722 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 4.583 0.471 0.705 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 13.052 3.388 -6.508 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 11.472 -2.742 -9.041 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 8.054 10.099 1.115 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 41.464 -0.905 17.133 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -9.949 30.686 0.654 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -1.951 3.496 1.829 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 -1.717 -4.645 -18.836 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 0.461 0.271 -26.785 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -4.147 4.457 -0.172 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 5.551 7.486 21.039 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 17.955 11.004 -19.369 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 5.013 2.613 0.699 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 -25.973 -15.865 24.207 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 -9.486 3.724 10.271 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 0.536 -1.240 3.224 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 4.381 0.095 4.653 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 8.345 4.083 5.984 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 8.368 11.817 -0.880 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 -15.687 14.777 16.181 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 -9.972 16.706 14.475 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 2.236 -0.328 -2.414 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -3.996 -21.534 -4.309 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -4.524 -8.026 -2.013 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -0.883 0.373 6.217 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 -7.154 13.859 12.572 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 16.230 -10.707 -2.135 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 -3.626 -0.413 2.289 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -12.294 1.331 2.995 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 7.803 4.918 4.077 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -3.612 1.768 -3.799 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -10.765 8.405 24.706 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -16.110 1.127 5.625 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 6.035 -1.917 2.550 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 -11.514 14.094 7.533 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 -6.143 15.465 11.699 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 6.781 1.993 -8.486 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 17.314 -5.857 -5.858 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 -3.038 0.400 -9.495 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 3.555 2.887 -2.162 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -0.618 -3.447 1.310 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -5.130 6.516 1.577 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 1.729 -2.164 4.286 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 -8.934 -0.104 26.409 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 1.778 5.117 2.673 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 0.364 1.306 4.504 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 -14.946 18.548 10.426 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 6.403 -2.739 20.623 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 0.282 0.402 -4.791 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 18.254 -34.032 8.543 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 -6.288 11.148 -9.914 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -2.486 2.441 9.844 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 20.283 1.871 -0.803 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 12.208 9.552 20.180 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 0.679 2.138 -2.230 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 -10.181 -0.506 -3.697 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -8.118 20.142 11.086 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 -0.781 2.829 -1.900 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -31.311 2.822 -3.241 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 23.158 7.425 -2.458 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 6.642 4.614 -5.350 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 -0.606 -28.373 5.206 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -20.544 10.843 -19.499 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -5.788 7.316 -2.240 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -25.152 7.629 4.483 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 5.749 -1.087 14.712 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 -0.993 1.320 10.067 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -2.905 -37.149 19.352 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 -0.181 23.602 -30.081 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 1.841 -0.019 -5.982 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 4.393 -9.852 8.032 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 3.847 -6.054 7.028 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -2.751 3.884 -2.282 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -16.140 0.481 2.692 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 0.334 -19.919 -0.740 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 0.633 -8.189 -4.253 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 -4.997 -8.317 -19.048 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 0.357 -23.214 -0.202 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 2.697 2.414 -1.324 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 3.285 2.177 -6.385 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 5.607 -3.462 -0.547 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -0.533 2.051 1.105 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 0.333 -12.878 -0.322 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 8.713 1.851 14.807 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -3.912 0.476 -0.408 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 1.539 6.099 0.628 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 1.786 2.315 5.748 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 3.981 6.270 8.786 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 3.016 24.735 6.848 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 -14.658 -3.941 9.509 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -4.599 -0.696 -4.389 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -10.760 11.171 9.954 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 1.426 -21.008 -18.138 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 3.049 6.267 -1.773 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 5.061 5.159 4.180 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 15.167 -0.810 33.927 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 0.089 1.012 1.790 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -12.504 -35.120 17.269 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 -0.086 16.189 -15.277 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 0.834 -2.599 -4.930 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 12.621 5.070 -6.709 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -11.504 4.856 -0.719 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 -4.245 -2.428 3.905 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 -12.497 -8.904 -1.109 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 -5.936 5.216 9.073 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 -1.273 -4.679 4.199 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 12.305 -6.578 -4.340 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 -15.283 -7.495 -7.905 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 -3.466 4.850 -3.854 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 4.193 13.407 -18.462 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 -17.393 -2.717 -10.453 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -0.386 -7.017 0.630 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 -15.586 -0.513 -2.503 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 -9.327 32.484 -5.566 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 1.887 -0.291 2.539 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -0.916 -11.302 8.058 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -11.595 15.048 3.039 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 11.391 -1.668 0.863 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 10.224 -9.979 4.335 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 13.240 -6.316 0.203 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 4.112 -1.457 -4.775 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 0.990 3.493 -0.603 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 10.541 13.037 8.842 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 -0.887 1.786 1.650 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -5.041 7.797 11.191 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 6.217 -10.763 -2.214 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -1.747 5.647 0.406 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 26.884 18.930 2.715 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -3.330 -8.617 0.931 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 -0.954 -6.180 -0.849 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 16.140 -2.151 -0.986 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -4.404 -27.676 -27.390 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 4.210 -3.287 4.324 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 17.517 27.489 -16.988 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 3.195 -1.697 6.795 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -0.180 5.929 0.486 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 -15.955 -21.648 -8.164 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -7.766 -5.111 -1.281 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 1.362 2.351 -4.760 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 3.150 -12.357 -22.620 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 9.179 21.201 -21.052 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -7.070 1.655 -2.198 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 15.126 10.564 12.331 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -1.611 23.617 -3.722 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 -2.229 1.418 -4.702 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 1.406 10.640 -11.099 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 -8.662 -0.425 13.288 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 4.790 -0.218 -7.886 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 1.734 -4.376 -3.141 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 0.354 6.243 -11.545 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -0.353 -8.841 -6.262 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 7.299 -3.231 -4.408 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 20.694 17.191 4.412 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 7.833 2.540 1.707 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 0.563 11.743 -4.916 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 27.351 -5.957 5.597 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -2.748 -0.351 3.195 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 -8.655 -1.482 0.497 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -3.330 -2.094 9.320 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -2.974 -3.362 5.318 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -2.195 -0.185 5.967 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -8.322 -21.428 2.592 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 5.567 -1.762 1.567 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 4.607 -2.886 3.201 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 10.128 -4.404 11.480 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -5.328 3.949 1.221 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 4.324 -4.444 -10.010 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 -30.123 -8.717 -7.647 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 2.931 -2.120 -3.107 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -4.799 -11.989 -20.934 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -1.490 -0.411 -3.756 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 3.023 3.529 -3.781 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -20.023 33.515 -12.574 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 30.876 -26.621 -13.327 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 5.492 1.894 0.108 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 4.929 21.563 15.290 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 8.642 0.231 12.621 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -4.539 -0.679 -7.890 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 -30.042 5.604 42.842 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 -18.136 5.547 18.783 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 -3.249 4.595 -7.280 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 -14.933 5.356 -16.210 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 8.057 -1.128 -9.309 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 2.171 5.190 1.632 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 9.113 -1.152 2.740 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 18.036 -10.397 8.648 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -0.633 1.067 0.942 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 5.479 18.687 5.287 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -3.013 -1.233 -0.486 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -1.628 -0.355 4.135 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 1.400 1.757 21.065 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 13.828 -0.826 -1.019 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -5.487 1.930 6.270 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 -3.230 0.187 22.829 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -4.643 -1.045 4.073 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 -4.836 2.557 0.956 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 9.102 11.255 -1.055 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -16.686 9.651 4.476 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 1.937 7.258 3.823 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -6.628 -4.242 -2.108 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -7.538 1.340 7.771 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 -2.648 -5.018 -1.703 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 -6.843 -18.565 -7.990 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -0.373 -1.336 -2.818 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 2.665 1.010 -6.519 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 7.765 0.981 9.295 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 4.889 1.431 0.080 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 -4.657 2.990 -0.223 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 -26.008 2.017 5.330 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 -8.561 14.703 -7.118 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 0.450 -4.863 6.323 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 -12.831 9.777 -6.565 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 -3.082 2.728 -1.360 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 -4.833 -2.860 1.607 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -1.823 5.830 5.407 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 -11.089 -2.451 1.337 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -5.680 -3.810 -0.835 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 12.386 -6.867 8.040 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -15.604 -6.222 -7.884 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 2.534 -2.149 1.924 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 3.165 1.637 0.114 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -5.518 -2.228 15.065 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 3.884 0.143 10.783 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -0.127 -2.917 26.645 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 12.530 10.803 -9.348 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 1.010 -2.382 3.341 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 16.927 -3.850 -26.660 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 -0.097 5.527 3.414 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 0.730 -0.392 0.506 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 19.439 12.052 -23.072 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 -39.663 -17.088 2.056 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 -1.662 -0.752 6.627 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -11.123 11.137 2.410 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 8.688 -3.229 -5.644 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -5.893 -6.447 -7.535 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 5.292 -4.298 -17.571 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -4.787 -26.393 2.688 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -1.292 5.159 -1.146 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -3.315 -3.892 -7.453 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -29.878 -11.318 14.566 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -4.968 -2.178 4.074 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 23.603 18.239 -15.205 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -10.142 -0.386 7.237 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 -7.116 -4.873 -2.875 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 -18.043 -1.691 -2.777 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 -2.817 -5.340 -2.492 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 -5.409 -3.765 4.160 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 7.125 -2.256 -5.493 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -6.652 10.703 11.608 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -4.590 2.549 0.742 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -17.542 23.836 -21.090 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -4.899 3.557 1.822 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 -1.728 2.178 -2.178 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 -14.149 17.823 1.498 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 -25.022 0.205 2.030 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 3.379 -0.555 -0.224 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 1.800 -2.613 4.208 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 5.853 -3.695 -4.083 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 -7.233 -10.077 -3.117 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 -3.155 7.146 2.765 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 -1.630 6.076 2.088 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -0.606 6.690 1.986 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 7.307 1.991 19.200 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 -6.542 23.658 5.481 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -5.961 -9.531 0.111 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -10.758 -20.637 -11.740 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 8.982 -11.869 7.876 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -4.111 -3.373 -3.119 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 -4.027 -13.753 5.193 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -12.570 -3.776 3.410 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 -0.356 0.926 -4.998 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -15.347 11.932 -0.046 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 -3.369 -6.374 12.193 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 0.834 5.980 -9.992 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 0.376 3.227 -11.074 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 1.142 0.098 3.818 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 5.981 1.349 -4.058 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 12.342 -1.072 -17.379 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 -3.877 -10.996 -0.430 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 2.274 -0.638 -4.902 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 6.354 9.122 -5.101 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 10.214 -2.234 4.225 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 2.791 -2.150 -1.417 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 -16.409 -12.077 16.121 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 12.384 9.117 6.172 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 3.083 -1.629 1.668 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 4.320 -10.324 -0.511 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 11.088 1.836 1.987 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -1.967 -2.098 1.048 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 24.431 -1.877 -0.730 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 -30.175 -1.748 -2.127 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 -0.936 1.238 -1.038 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -0.213 0.767 -1.713 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -4.138 0.123 -0.318 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 -2.631 -4.244 0.404 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 -0.988 -6.724 -6.565 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -8.311 -9.445 2.619 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 14.843 1.240 0.902 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 1.735 10.098 2.238 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 2.336 7.479 2.273 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 7.148 2.027 -0.429 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 13.562 2.499 -1.345 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -23.739 -5.043 7.774 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 1.686 4.364 1.154 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 -2.614 11.603 8.792 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -10.543 20.344 16.372 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 0.377 -8.073 -6.765 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 5.217 -16.721 2.658 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 19.266 -24.594 11.207 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -0.881 -2.218 -0.634 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 -11.706 -1.030 -7.952 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 16.254 -13.120 -1.374 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 -2.241 -1.675 1.828 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 15.807 -7.945 -3.707 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 8.708 -2.734 -3.254 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -7.664 2.271 8.498 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 14.872 -10.378 -3.168 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 7.390 -12.579 -37.444 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 -3.144 -3.488 -1.000 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 1.845 33.686 -26.445 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 0.036 9.200 -8.547 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 -5.451 -0.880 -5.028 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -16.059 -1.625 -5.352 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 0.290 4.854 -9.948 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 1.580 -6.303 4.200 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 -1.314 -1.806 3.499 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 2.734 -2.734 2.790 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -9.176 1.773 -2.369 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -12.420 -14.744 -3.911 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 8.455 -0.890 -1.404 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 -2.021 -3.998 0.265 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 7.269 -6.566 -9.808 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -22.066 -24.319 21.011 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -0.985 -1.386 4.971 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 1.676 -10.368 -9.820 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 11.391 5.340 -2.898 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 -5.561 -3.891 1.520 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 -13.912 -1.340 -10.114 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 -8.411 -3.353 -2.220 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 2.828 0.300 3.169 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 1.207 3.258 7.506 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -1.446 -1.730 -4.984 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 -1.972 -3.481 5.648 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 -1.226 5.365 -5.530 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 -1.203 -5.666 10.040 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 -2.134 2.163 1.958 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 -3.118 1.885 -9.829 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 5.481 -7.224 4.475 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -2.744 -9.378 -1.141 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -10.393 1.008 -0.492 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -4.763 -15.634 11.501 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -1.598 3.212 0.233 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 11.561 7.822 -10.430 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 7.293 -13.018 9.216 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 -3.803 -0.190 -1.159 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 5.789 -23.024 5.783 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 21.430 -12.275 6.889 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 2.583 -2.945 -0.494 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 5.937 3.776 0.252 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 -6.138 -16.865 -1.961 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -2.497 1.830 10.173 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 10.382 -8.173 -11.197 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -24.050 6.033 0.808 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 0.387 -0.382 0.604 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -9.842 2.183 12.003 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 -19.141 -1.657 6.107 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 -0.783 0.918 3.321 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 1.599 4.653 -15.744 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 5.580 -5.493 -15.407 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 -9.247 0.254 4.856 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -7.356 4.346 16.431 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 -19.671 6.702 9.022 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 3.352 2.066 4.125 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -11.199 -4.875 -1.226 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 13.385 9.378 -1.169 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 -4.236 0.248 -2.840 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -23.335 -25.988 -12.238 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 -15.365 4.599 -21.172 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 2.800 5.809 3.312 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 0.940 -2.652 13.423 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 5.204 7.646 -2.582 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 1.474 0.620 -6.681 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 -2.229 -24.099 -8.067 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 -11.321 10.967 0.061 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 4.719 -0.309 -2.700 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -5.801 -11.895 -4.792 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 -7.363 7.565 -26.117 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 7.026 -2.525 5.421 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 -7.774 -0.474 16.473 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 1.247 -20.001 -6.753 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 0.731 2.338 -0.408 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -14.144 -22.697 15.868 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 10.411 -11.763 -29.441 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 -1.735 8.498 -0.876 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 0.072 8.501 -12.841 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 2.038 -1.437 1.645 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 -5.569 -1.170 -2.044 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 -5.363 10.910 11.613 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 14.887 15.052 -11.384 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 1.196 0.605 -6.229 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 -20.594 -19.788 -4.693 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -1.292 2.287 -6.622 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -10.450 -3.424 -1.742 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -12.084 -3.553 10.140 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -11.991 -16.768 -12.681 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 5.283 -0.781 -0.348 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 -9.441 5.833 3.087 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 15.281 -14.967 0.513 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 0.366 0.307 1.290 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 1.614 -6.747 2.840 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 -5.605 -1.650 3.829 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -2.490 -6.772 -5.273 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 -21.115 -24.326 10.014 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 0.277 3.601 7.001 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 -7.549 -0.921 2.333 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -7.457 4.637 -0.335 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -8.254 -4.370 4.434 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 3.294 1.115 -2.550 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 16.038 -5.750 9.052 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 -1.554 -9.625 -10.899 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -1.876 -6.157 2.272 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 8.758 -2.986 -6.956 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -1.701 1.837 15.155 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 0.181 -7.179 -1.932 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 3.520 -3.151 14.330 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 -5.889 2.603 -8.702 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 3.735 1.811 1.385 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -0.498 18.633 5.954 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 5.465 0.753 -14.484 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 0.095 3.843 -1.836 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 24.656 16.651 -1.561 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -0.892 -1.205 -27.408 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 -4.353 0.183 2.746 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -0.995 11.788 -9.841 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 14.547 15.533 1.016 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 -2.327 10.629 -8.680 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 -6.871 16.977 -13.161 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 1.635 -3.892 -0.246 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 -4.207 0.108 -5.023 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 -20.672 -14.625 -25.915 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 -15.762 -9.002 20.986 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -2.091 -5.289 -2.340 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 -6.938 11.554 8.460 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 -2.815 -11.704 1.541 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -5.692 6.979 -4.762 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -0.182 -2.708 4.861 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -7.218 12.069 -6.761 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 3.194 -7.787 6.294 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 9.123 9.119 15.042 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 -5.503 0.379 -7.691 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 6.443 3.330 2.118 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -4.682 -9.368 4.739 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 2.441 -9.346 15.886 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 -0.204 -2.469 4.792 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -12.859 -6.672 -21.641 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -5.341 9.269 -12.014 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 0.578 -6.117 -6.015 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -3.271 -9.192 -15.531 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 4.599 -4.922 0.569 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 -0.570 9.005 -4.520 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 20.579 0.046 -0.855 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 3.843 12.515 13.665 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 -3.840 4.122 -2.438 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -2.630 -2.594 0.635 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 5.078 22.078 -16.915 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 -3.796 1.216 1.915 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 9.173 12.533 -6.647 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -12.761 -22.410 11.796 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 1.650 3.476 -1.799 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 0.797 -1.930 3.621 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 2.262 4.426 2.462 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -5.433 2.744 -2.400 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 -20.852 14.001 -6.784 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 26.826 -15.442 -5.213 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -1.831 -1.422 -4.974 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -12.699 1.598 4.590 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 19.273 0.531 0.195 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 1.701 5.033 -7.248 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -0.428 -4.974 18.061 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 7.016 -2.725 2.504 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 -0.260 2.866 0.203 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -15.275 3.189 -10.249 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -8.045 1.658 -4.924 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 -2.328 3.704 2.510 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 -24.882 -10.208 -6.495 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 -3.759 -17.775 -16.095 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 1.968 6.666 7.332 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -23.615 7.392 -3.592 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 6.569 15.140 -6.763 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 2.643 5.075 2.011 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 2.535 20.351 9.810 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 3.503 -11.406 -7.224 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -1.949 3.600 -1.771 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 10.592 -4.393 -13.251 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 11.318 4.953 -0.704 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -3.515 -3.149 -2.823 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -2.020 -0.355 -3.692 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 -9.943 -11.918 -0.817 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -1.788 4.196 0.420 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -5.414 24.714 -7.091 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 18.678 -2.736 -11.805 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 3.933 4.235 0.434 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 18.639 11.236 3.829 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 2.466 8.982 16.359 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 -1.154 8.189 -1.477 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 -5.373 8.193 1.019 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 -21.159 9.357 1.598 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -3.362 -2.684 -2.880 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -5.684 1.452 -6.247 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -1.694 3.018 -11.037 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -1.313 -6.518 0.486 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 -0.607 -8.736 -14.195 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 22.162 -9.274 13.523 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -3.239 -2.315 4.826 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 -32.216 -5.051 -10.710 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 -9.658 19.216 8.411 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 -1.927 0.156 -0.596 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 -2.038 -15.840 17.763 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 -3.179 5.210 -6.676 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 1.656 -0.959 1.802 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 16.089 0.962 -5.537 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 31.023 -4.479 -30.324 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 1.734 -0.750 -2.318 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -9.962 -1.189 -12.499 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 -16.902 -15.698 4.367 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 -0.424 1.508 -0.897 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 4.101 10.579 -15.888 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -10.498 -15.021 9.229 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 1.496 0.021 -0.464 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 0.768 3.196 -0.780 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -5.468 2.104 -5.263 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 1.148 -1.463 -1.717 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 5.536 -1.386 4.676 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -10.245 1.433 -10.825 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 -7.713 0.444 -5.483 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 -4.339 -1.197 -9.070 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 -6.325 8.008 0.978 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 -7.639 -2.402 -1.944 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -7.105 7.886 -11.107 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 1.118 -2.303 -9.152 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -2.152 2.237 4.058 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 14.485 7.509 9.920 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 -15.106 2.438 -6.490 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 4.095 -3.930 0.910 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 5.370 -15.111 -8.445 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -12.670 -9.000 9.940 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -4.439 1.975 0.844 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 -20.343 -0.732 -0.879 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 -3.106 -0.427 15.435 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 -3.805 2.769 -2.684 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -1.681 -7.969 5.900 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -4.256 -5.987 11.296 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -2.396 4.327 -5.227 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 0.828 5.241 14.102 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -18.620 0.937 4.192 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 -1.815 0.991 2.222 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 17.524 14.774 15.803 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 -14.523 7.091 10.250 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 1.757 -5.410 -1.515 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 7.150 23.534 7.165 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 -0.070 -5.744 -7.071 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 -2.241 3.113 1.334 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -3.219 10.489 -22.830 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 -19.479 13.553 19.662 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 2.568 -2.616 -1.127 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 12.724 0.487 -3.865 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 16.583 0.734 -1.018 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 -1.433 2.712 3.498 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 -5.448 -24.934 1.931 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -21.497 -1.406 -16.216 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 1.771 2.049 1.261 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -2.888 1.198 16.740 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -16.004 -1.491 11.492 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -2.043 -2.916 -7.118 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -14.943 -4.400 4.698 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -5.776 7.276 -8.155 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -5.200 -0.591 2.509 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 4.836 -17.384 2.437 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 -11.613 0.144 -3.341 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 1.881 7.609 4.665 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 0.342 12.419 6.594 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 -6.252 4.700 5.382 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 0.883 -2.749 -3.960 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 -24.901 13.786 -4.300 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 8.811 1.092 -33.292 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 4.531 -5.702 2.819 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 2.803 -12.252 -5.578 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 7.479 10.845 -0.638 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 0.346 -0.580 0.433 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 4.917 -1.852 -22.253 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 0.831 14.353 -5.434 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 -7.299 5.754 2.767 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 5.069 -2.271 1.747 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 -8.880 4.253 -0.254 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -5.615 2.727 -4.473 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 0.930 6.303 7.758 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 -6.358 2.279 -17.643 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 2.641 -4.529 2.805 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -2.274 0.844 5.289 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 -8.762 8.002 -1.076 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 2.374 4.256 -2.223 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 -20.358 7.527 -8.490 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -1.572 4.843 -4.755 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -6.223 4.651 -4.476 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 8.363 -2.053 -17.966 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 3.760 0.598 -11.234 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -2.577 6.926 -6.435 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 1.917 11.484 -8.021 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 19.054 -13.710 -26.451 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 1.876 1.331 4.290 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 1.136 -5.001 19.349 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 0.736 -19.866 10.025 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 -5.246 -0.372 0.313 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 4.117 -1.776 1.241 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 -5.488 5.371 8.113 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -2.594 -7.305 -3.082 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 10.697 -1.067 11.311 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 36.457 14.153 29.348 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 -9.518 6.856 6.486 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 -10.440 -8.075 14.049 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -9.949 5.551 5.897 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 2.385 -1.581 -2.656 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 23.284 -6.497 -9.444 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 13.043 -8.484 -6.153 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 -2.824 8.418 -4.861 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 -3.631 11.557 3.770 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -6.303 -13.224 16.613 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 -1.269 2.442 2.699 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 -2.692 3.800 -1.947 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -1.062 3.173 -3.127 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 1.371 8.360 1.365 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -9.444 -18.886 -3.063 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -17.396 13.466 15.380 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 1.087 0.772 -3.195 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -25.517 30.376 -9.322 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 16.552 3.569 -4.731 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 -1.166 -6.233 -0.402 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 -0.781 -0.482 15.024 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -18.193 21.622 -14.208 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -0.037 -1.224 -4.164 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -12.334 -9.376 -23.435 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -5.441 -1.172 -2.266 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 -2.177 -3.979 -4.367 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 -0.166 -5.565 -10.692 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -0.948 -3.832 0.936 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 -1.197 2.933 -0.496 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 -10.750 2.493 8.694 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 -1.774 -3.584 -5.029 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 3.122 -6.840 -2.172 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -5.731 2.231 12.715 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 -1.082 -5.647 2.862 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 4.338 -2.905 -2.118 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 -30.637 -9.011 -33.559 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -2.151 -1.377 -6.254 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 -2.653 -1.573 1.359 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 -0.163 11.889 -8.406 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 13.224 21.690 -0.515 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 -0.749 -7.224 -7.131 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 -9.088 -10.015 7.236 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 4.164 -12.658 1.035 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 0.754 2.463 -1.114 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 -9.966 3.033 10.387 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 19.385 -12.082 5.367 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 -4.912 4.196 -6.164 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -4.022 46.528 17.698 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 -2.516 1.864 -13.987 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 5.267 0.555 -1.689 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 -13.525 -20.447 -18.200 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -10.082 -4.746 -4.063 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 3.633 -2.060 -3.626 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -3.455 -14.682 34.034 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 0.854 -6.522 3.618 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 8.398 -4.338 3.346 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 8.716 -1.982 2.562 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -1.820 -3.837 0.183 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 3.295 -11.194 0.793 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 23.014 -1.082 3.731 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 5.083 -25.136 5.550 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -0.761 4.587 3.033 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -7.232 -7.582 14.017 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 -2.235 0.279 12.285 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -2.254 -0.179 4.538 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -8.027 -8.126 15.996 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 2.877 -34.918 11.899 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 2.597 3.463 -8.491 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -3.825 25.939 13.574 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 0.195 -13.367 19.271 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 2.573 -3.793 5.483 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -9.882 4.535 -16.207 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 19.453 16.906 19.319 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 2.155 -0.137 2.799 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 2.635 -8.528 -9.408 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 15.333 -1.105 6.238 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -3.594 0.966 -5.193 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 -15.084 -26.583 9.692 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -0.603 9.558 -19.304 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 -5.820 -1.323 3.402 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -9.081 0.767 -0.413 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -6.333 12.428 11.883 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 1.783 1.338 0.440 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 24.593 14.798 0.952 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 1.943 -9.090 -10.732 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -0.947 -4.550 -1.845 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 4.152 -10.932 -4.830 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 -0.299 -11.749 -9.812 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 1.224 4.316 -2.409 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 7.304 -6.912 -0.744 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 18.650 -29.155 -4.022 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -4.902 -3.256 5.140 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 16.405 -20.421 3.237 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -10.008 1.454 2.952 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -1.800 1.047 -4.618 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 14.262 -0.939 -7.982 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 -6.618 -22.353 -16.000 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 3.890 -0.092 -4.212 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -9.073 -14.141 4.569 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 13.118 10.071 -10.308 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -2.602 -1.680 -2.279 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 -3.943 -0.087 2.346 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 6.227 -1.471 -14.156 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 2.433 -3.314 4.172 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 -5.165 -10.598 -4.209 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 15.482 -0.735 5.919 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 2.330 -2.714 -5.763 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 20.230 -0.402 -6.411 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -2.302 6.932 8.786 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -1.545 0.922 -0.762 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 -12.053 3.124 3.661 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 1.826 -9.016 -33.049 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 2.030 7.812 1.308 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -13.271 7.542 17.741 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -9.520 11.186 -6.591 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 3.665 -1.199 2.316 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 26.152 -8.924 4.330 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 28.901 -8.869 -3.376 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 0.072 0.935 2.916 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 1.698 2.175 10.360 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 11.600 1.054 0.644 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 0.310 5.977 9.340 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 26.533 -6.847 6.244 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 -13.810 7.758 11.877 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 3.434 1.545 -1.010 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -7.608 -0.819 -0.903 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 7.577 9.381 20.543 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 -0.775 -1.202 -4.922 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 -0.571 -1.198 -1.253 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 -5.339 1.633 -10.870 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 3.948 -0.039 -1.896 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 -2.931 11.676 -4.176 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 8.196 9.452 -2.363 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 2.843 -6.435 2.963 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 1.880 -14.823 11.880 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 14.195 32.210 -10.034 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 -3.468 -0.222 -1.882 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 -11.467 1.099 -0.826 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 3.090 -2.068 -4.814 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 0.692 4.018 -7.973 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 -0.022 7.448 1.134 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 9.052 -0.881 -3.865 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 1.450 2.261 4.315 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 -3.087 5.433 11.495 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 14.143 -2.739 6.470 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -2.036 -5.293 3.862 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 20.869 -3.596 2.009 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 -11.872 7.895 17.969 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 -1.014 -1.366 -1.445 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 22.987 -0.463 12.436 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 5.072 -18.353 2.266 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 3.080 4.886 0.020 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 11.072 -10.235 -12.077 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 -11.241 4.138 -10.939 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -0.661 -0.168 1.473 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -0.042 -6.211 26.845 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 23.614 2.740 -8.686 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 0.011 -3.356 -3.117 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 -19.085 -39.571 -16.345 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 9.585 0.647 -4.292 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 0.782 6.449 -3.200 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -20.194 -2.994 3.790 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 -8.469 3.174 0.122 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -0.418 1.397 3.900 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 -2.390 5.022 3.160 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 4.454 -3.295 2.200 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -0.049 0.733 0.564 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -18.520 10.854 6.168 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 20.175 -24.911 -20.768 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 5.515 -1.137 1.162 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 3.968 3.064 -2.968 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 4.553 -1.981 3.881 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 -7.623 0.924 2.718 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 -2.591 4.502 6.655 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -4.159 -2.268 1.695 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 0.336 -3.373 3.176 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -9.206 11.716 20.894 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 -0.684 -18.734 0.115 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 0.886 0.140 4.141 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 12.725 0.286 16.209 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 21.979 -23.216 -12.366 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -2.315 -1.545 4.261 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 -8.887 -15.499 0.545 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -42.186 1.311 1.173 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 -1.107 2.356 -9.665 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 8.384 1.448 16.397 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -10.603 5.327 -11.154 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -3.031 -4.008 -1.887 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 1.571 7.551 8.988 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 -10.885 23.600 -11.679 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 2.351 -3.473 5.970 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 1.918 2.105 8.245 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 5.989 -10.902 12.389 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 1.722 2.206 -0.144 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 4.051 -6.755 -9.611 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 6.961 -16.940 -0.919 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -0.599 6.451 -4.685 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -8.538 -24.659 -4.615 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 22.120 -2.960 2.135 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -2.508 -5.707 3.841 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 11.573 -14.225 14.197 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 -6.812 -7.366 9.246 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 9.745 -0.399 -9.799 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 21.059 15.172 -18.505 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 -5.389 -12.999 -0.589 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -0.142 -4.529 3.561 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -8.552 -8.738 12.871 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -9.088 -2.278 8.061 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -2.920 -1.221 -1.873 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 -23.856 -14.011 9.655 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 4.775 9.711 18.042 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 -2.839 0.447 8.501 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 1.464 -2.960 -2.380 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -10.883 -2.228 5.597 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 2.444 -1.447 -3.724 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 17.920 -1.464 0.980 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 36.981 -13.992 -16.126 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 4.017 2.114 8.778 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 1.489 2.035 8.004 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 4.586 3.536 7.197 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -1.690 -0.515 1.772 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 -7.117 2.281 -17.122 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 -1.139 3.732 7.339 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -0.903 -1.448 0.560 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 2.545 7.281 -11.538 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 -6.502 2.281 6.744 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 -8.327 1.134 1.591 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 -8.264 -10.139 -21.509 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 14.624 9.905 1.722 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 0.991 2.365 -1.712 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 12.047 -4.514 2.791 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 16.078 -10.307 9.758 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 -5.133 5.079 7.933 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 5.167 8.561 12.879 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -3.487 -6.679 -8.239 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 3.742 -0.952 -2.144 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 13.476 18.278 12.867 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 34.708 -6.775 7.389 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 5.257 5.310 2.319 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 2.169 -7.778 -3.012 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 1.201 -7.227 4.785 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 -0.142 4.368 -3.010 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -6.327 10.947 -2.727 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -3.436 1.868 1.008 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -2.400 -5.329 -5.707 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 0.473 14.664 -0.635 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -5.467 -10.215 -4.740 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 2.940 2.786 2.636 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 6.338 -5.719 0.164 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 28.488 -23.802 -9.261 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -6.778 1.741 3.573 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 1.513 -1.039 14.334 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 0.878 5.596 -2.944 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 5.231 -0.248 -4.340 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -22.691 10.940 10.297 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 1.923 -10.108 -7.818 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 -0.819 0.471 -7.955 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 4.029 -2.960 26.242 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 3.563 -11.693 25.102 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -3.950 -2.180 2.656 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 29.434 3.309 12.329 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -7.379 0.429 -6.772 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 1.028 1.437 -2.035 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 0.674 2.535 1.701 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 -5.761 3.975 -3.686 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 4.272 -4.353 1.242 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 -12.296 26.230 3.895 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 -14.829 1.549 17.117 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 -7.383 -4.363 -4.333 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -21.480 -5.277 -9.783 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 1.568 -18.926 3.935 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 -2.356 -5.704 -1.801 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 1.336 5.128 -6.909 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -8.575 -4.277 -8.603 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 -2.054 -3.170 -1.710 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -12.683 -5.410 -4.477 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 3.680 5.311 3.819 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 3.428 -4.291 -2.007 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -3.135 -1.848 10.588 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 16.479 -4.737 -21.899 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -3.212 6.231 0.908 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 33.486 6.166 21.521 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 4.695 15.695 11.319 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 6.949 -2.835 -0.837 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 -8.157 6.020 5.010 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 13.662 -4.162 -8.761 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 -1.168 -2.890 4.873 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 -3.864 -8.805 5.907 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -6.437 0.915 4.207 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 -6.570 5.027 1.293 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 -19.157 -11.092 15.926 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 23.544 -7.681 -0.860 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 0.642 4.296 -1.791 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 -10.945 -9.786 5.258 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 -1.505 3.168 -1.035 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 0.377 2.693 4.789 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 -12.995 -21.359 -3.569 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 -9.696 14.700 15.765 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 2.819 1.579 -3.653 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 17.697 -1.007 14.382 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 4.263 -0.339 -1.710 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 8.507 2.281 2.627 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 8.814 14.549 17.580 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 8.512 9.806 12.278 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 0.694 4.475 3.293 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 2.047 14.958 5.809 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 1.700 6.162 16.132 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 -1.636 -2.056 2.686 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 -6.011 -14.684 4.640 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 -0.015 10.398 -13.544 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -4.677 -4.063 -2.256 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 4.444 4.721 -7.615 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 -3.705 -9.679 -3.103 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 0.558 1.891 -0.111 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 -6.108 -15.629 13.678 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 6.011 6.385 11.893 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -0.537 7.862 0.028 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -2.049 -2.802 -15.295 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 -6.484 -13.978 11.137 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 4.205 2.935 1.364 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -0.164 -10.560 -7.211 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 -8.534 5.329 12.140 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -1.239 0.771 -6.005 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -20.271 1.036 -0.748 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -2.324 -6.223 -7.698 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -2.337 -5.283 -3.876 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 -5.775 -12.483 -4.590 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -11.968 -3.415 3.101 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -0.017 -4.572 1.512 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 3.723 -2.694 7.386 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 -15.058 -11.096 -18.454 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 2.283 0.576 -7.138 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 -4.124 -3.554 -6.163 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 7.018 2.685 14.619 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 4.599 -6.898 -5.799 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 11.414 7.907 -7.964 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -8.130 -24.093 11.590 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 1.006 -1.725 -3.767 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -2.887 -3.155 -4.915 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 7.128 -1.013 -3.299 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 -2.555 -6.231 0.488 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 16.824 -6.598 15.757 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 11.823 0.527 6.404 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 2.175 -6.371 1.149 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -10.305 5.172 6.060 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 12.693 -4.675 -21.045 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 3.059 -6.509 -0.184 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 -2.872 -0.610 -0.018 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 -3.088 3.004 1.733 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -4.388 2.289 2.352 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 14.265 5.093 16.566 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 44.499 -13.213 -6.487 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 1.441 -9.941 0.696 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 -3.423 10.207 22.894 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 -3.337 10.600 20.183 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -7.051 4.856 -1.432 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 -19.292 7.230 -4.083 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -4.995 -6.254 -0.184 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 1.508 -5.435 -3.082 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -10.868 -12.541 2.292 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 12.581 1.215 -3.171 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -8.784 5.300 5.173 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -8.197 0.683 -0.689 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -15.841 9.002 8.632 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 4.692 3.865 -5.602 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -3.443 2.508 0.400 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 -0.973 21.579 2.155 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 -7.488 6.785 -2.807 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -5.787 19.283 12.593 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 -3.331 -16.110 -3.795 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -3.400 7.798 1.970 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -4.082 4.522 16.547 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 0.626 -6.474 1.850 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 4.179 1.411 -3.937 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -14.411 -8.201 -18.270 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -4.368 13.385 -8.477 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 0.353 -6.557 0.346 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 14.976 1.333 -13.449 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -20.407 0.346 -8.345 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -0.395 4.543 2.272 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 16.231 12.981 -14.147 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 -40.921 -11.473 2.028 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 2.900 -2.321 -2.074 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 15.745 6.901 0.156 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 -6.098 -7.265 11.201 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 4.371 0.957 -1.896 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 12.804 25.308 19.301 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -7.239 -22.540 -7.075 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 0.064 -1.692 1.491 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -33.469 3.650 5.674 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -2.778 8.068 -2.134 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -2.042 0.665 2.766 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -3.305 1.628 -1.827 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -14.369 -17.830 16.381 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 -0.342 5.315 -0.315 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 -14.031 -20.815 -13.351 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 -1.322 -3.635 4.105 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 1.115 -1.624 -2.992 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -9.603 -24.917 -4.458 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 -18.609 21.995 -21.347 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 1.869 0.717 -1.494 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 -7.842 13.575 -13.071 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 12.820 4.273 20.602 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 2.464 -1.753 -4.714 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -22.476 7.427 18.634 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 23.491 2.090 -20.593 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 -2.839 -1.158 3.433 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 1.750 5.084 8.011 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 -4.597 -6.646 -2.703 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 -1.735 -1.826 -5.569 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 5.172 -2.079 4.971 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 14.157 -8.997 6.940 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 2.345 -2.547 3.788 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 4.555 7.580 -13.821 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 6.097 0.098 -4.360 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 4.308 -1.617 -1.615 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 3.388 0.935 -0.839 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 11.965 -0.448 4.632 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 -8.133 3.845 -1.020 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 1.921 8.150 4.146 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -5.882 1.736 13.425 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 5.264 -2.927 3.955 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 5.411 5.491 -13.885 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 5.153 -9.862 17.952 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 2.346 3.875 -0.523 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 -7.193 17.355 18.129 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 -9.872 -8.543 -3.584 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 7.230 0.757 -3.488 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 1.207 -6.784 8.752 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -10.046 -6.269 -12.697 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -5.158 1.939 0.932 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -19.129 -0.202 -11.754 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 -3.143 5.081 9.321 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 0.586 -0.314 1.166 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 -1.021 -1.984 -3.016 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 6.227 -1.717 1.715 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -4.833 -1.895 -0.594 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -1.211 6.623 20.719 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 -22.264 -11.788 2.158 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -1.651 -0.396 5.072 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 4.573 7.756 18.151 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 8.537 7.144 16.294 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 -2.962 0.926 -1.320 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -0.168 -40.208 5.784 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 -2.653 -2.920 -2.887 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 -0.294 -3.451 1.650 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 16.879 -17.264 -2.764 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -1.085 11.601 8.128 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 3.714 8.893 -5.697 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 -13.444 4.708 -7.135 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 8.315 4.457 -0.455 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 3.490 2.723 4.944 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 7.237 -3.425 -1.532 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 15.755 24.111 -10.101 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 0.533 6.734 3.139 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 9.821 14.346 13.301 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -1.089 7.683 2.790 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 -2.279 3.382 6.888 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 5.118 42.738 5.952 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 10.048 -14.534 8.577 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 5.460 0.457 -2.674 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 -3.872 -13.112 3.697 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -26.800 -2.749 -8.970 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 -3.049 -2.236 -1.287 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 8.354 9.103 -3.765 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 13.801 13.413 -35.224 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 -1.394 7.928 -5.985 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -36.580 14.255 1.563 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -12.988 7.834 -2.509 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 8.988 -6.453 -2.822 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 12.805 -7.739 -3.030 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 4.232 -0.721 -2.250 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 3.934 -2.730 1.162 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -19.704 21.636 7.514 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 25.631 8.413 7.928 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 -3.521 2.049 -4.285 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 -10.832 2.736 -3.260 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 -15.101 8.168 -8.040 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -0.342 3.504 7.154 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -4.072 15.751 7.310 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 8.067 -8.118 5.809 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 -6.996 -1.518 4.497 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -8.268 -0.324 2.023 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 -4.211 -5.039 10.667 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -1.674 2.993 -4.809 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 2.931 12.535 -38.565 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 0.908 -12.369 2.540 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 0.554 0.025 1.556 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 12.466 24.491 11.819 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 2.373 6.694 4.445 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -0.341 -2.192 3.019 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 20.635 11.320 3.616 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 -6.629 -11.176 11.187 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 0.396 -3.616 -3.107 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 12.567 -10.475 -1.316 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 9.857 5.971 5.547 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 7.344 3.956 7.495 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 12.075 3.164 9.112 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 4.857 0.329 7.736 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -3.691 10.543 3.641 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 17.436 -9.341 21.200 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 -1.784 13.792 -14.510 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 2.244 -2.082 3.529 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 8.292 16.037 -0.468 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 16.359 0.826 12.722 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 -5.060 1.195 1.359 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -21.879 -26.303 -17.768 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 0.987 13.672 -23.085 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 7.135 3.793 3.749 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 4.954 1.511 -4.826 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 9.191 2.509 4.486 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -7.762 0.756 -6.779 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 -5.297 5.975 -16.584 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 4.607 -3.002 5.223 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 2.231 2.459 -0.753 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 21.717 -2.441 -12.991 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -8.001 -12.228 4.475 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 2.167 -4.299 -2.397 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 3.893 -16.882 -2.231 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 0.385 -3.273 0.420 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 1.395 -3.570 3.386 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 1.299 35.727 -17.586 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 7.157 7.028 -9.419 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 -5.819 6.684 6.337 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 4.377 20.533 8.440 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 -17.986 -12.483 2.051 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 -2.134 -3.920 0.501 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 -1.898 -0.448 -7.554 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -26.609 -1.968 6.242 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 2.272 1.476 -2.840 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 7.503 2.490 -3.675 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 2.855 0.187 -2.876 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 -9.915 3.962 -6.229 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 -6.564 -22.530 18.731 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 8.025 3.242 -12.830 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -0.538 -1.185 2.275 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -1.454 -8.022 8.855 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -3.257 -27.021 20.714 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 2.600 -3.526 0.143 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 9.443 -11.168 -1.716 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 4.367 -6.696 -0.360 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -2.128 -3.987 1.099 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 -19.650 -2.900 6.948 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 -2.295 -1.874 8.704 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 -0.404 -1.430 1.812 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 -4.156 -11.393 13.406 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 10.709 0.318 -11.925 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 0.885 -5.996 2.580 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 10.789 9.500 0.175 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 -4.306 -18.783 3.215 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -0.359 6.618 1.877 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -0.704 -0.885 12.082 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -12.306 2.754 -11.333 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -3.137 -0.822 2.247 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 -37.184 -3.090 32.910 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -18.711 26.412 -23.694 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 0.799 -2.176 -3.980 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 0.458 4.461 -7.097 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 -0.307 -0.108 -7.479 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 1.862 -3.094 -1.426 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -3.554 -4.671 -2.550 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -1.162 2.419 1.131 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 5.024 -3.342 1.410 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 5.338 12.486 -0.206 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 7.861 -0.878 2.558 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 6.169 -0.780 -2.999 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 -18.254 -6.072 -19.099 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 18.604 -27.262 -21.142 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 7.565 5.543 -0.971 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 2.419 6.115 0.892 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 12.050 0.571 -3.692 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 0.024 0.757 4.903 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 -2.848 25.204 -26.725 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 -4.013 -0.701 -0.115 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 -0.383 5.302 2.346 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 11.782 18.132 0.533 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 11.580 -2.192 0.148 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 2.469 -0.050 4.340 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 10.722 -6.616 6.330 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 1.649 11.684 7.846 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 -4.544 -3.710 -4.252 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 7.243 21.303 -10.591 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 -10.673 -12.011 0.748 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 1.472 0.292 2.059 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 8.395 -6.777 -3.614 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 3.522 18.857 9.848 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 2.825 3.529 -1.298 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 -13.390 2.424 -3.563 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 12.517 8.844 22.530 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 1.103 1.509 -3.750 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 3.059 -4.505 4.268 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -9.190 3.820 -14.365 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 4.297 -2.746 -4.129 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 0.772 11.538 -1.639 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 7.302 -17.814 18.135 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 2.896 4.663 -0.763 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 1.802 1.978 -5.931 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 7.145 3.197 -6.575 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 -0.688 -1.963 1.150 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 2.449 0.971 3.429 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -7.387 -8.271 2.409 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -3.868 -4.105 3.487 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -13.928 -5.395 -0.451 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 -10.473 -0.730 9.738 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 2.090 1.545 1.441 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -5.505 -20.114 -13.540 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 8.964 17.427 11.144 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 6.582 -0.213 -3.620 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 3.084 -11.378 -10.906 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 5.588 12.380 -7.376 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 -0.975 -0.275 -2.955 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 -4.189 16.849 -17.584 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 0.562 -27.514 -17.127 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 -11.529 -1.818 4.938 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 -14.772 -1.254 13.452 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -10.796 -7.576 2.439 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 1.270 -1.569 1.506 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 4.638 -1.822 4.135 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 10.263 -3.942 -0.084 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 -0.740 -0.727 -6.787 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 18.432 -24.843 -9.875 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -10.232 43.872 -6.619 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -2.194 -8.246 0.054 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -10.428 0.009 -2.339 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 9.916 -3.212 12.678 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 1.569 -6.657 -0.660 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -21.199 -19.036 0.190 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 22.201 5.659 -2.609 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 0.807 2.604 -6.024 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -12.833 0.849 -16.765 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 3.945 21.580 -5.826 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 2.334 -2.765 5.537 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 0.607 -5.158 -2.573 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 -1.346 -6.743 11.159 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 0.086 5.309 -0.778 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -16.159 5.751 -3.074 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -2.269 -4.074 20.942 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 2.138 -3.777 1.513 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -1.730 -4.726 1.783 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 -3.852 -9.233 6.061 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 2.000 -2.700 1.030 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 7.622 7.973 -3.609 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -28.486 -4.767 17.669 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -1.885 0.756 -2.547 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -2.484 -5.078 10.062 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 0.560 15.197 -19.439 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 -8.201 1.413 0.844 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 8.644 -8.391 -0.771 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 -14.612 15.420 -2.582 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 1.009 -2.312 7.426 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 -7.918 -1.598 8.080 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 1.622 2.512 6.193 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 0.446 1.354 -5.586 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 -3.844 26.560 -18.402 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 -1.898 -5.358 -15.317 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -7.203 -3.233 -6.299 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 -17.987 -18.222 -19.803 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 0.571 -12.961 9.095 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 2.233 2.846 -0.569 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 0.179 3.328 -9.635 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 8.381 5.880 -27.126 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 1.851 5.113 1.974 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 5.573 6.439 19.050 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -2.369 -9.303 -2.050 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 3.387 -0.136 5.850 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 3.288 -1.770 9.624 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 3.094 -3.651 5.356 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 -6.313 -0.176 -3.633 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 16.582 2.710 -9.720 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 -16.235 3.631 13.621 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 5.729 -4.774 -3.250 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 0.295 11.896 -1.097 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 3.566 -0.752 -1.585 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 4.970 4.892 -2.167 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -3.212 4.347 3.259 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -0.096 13.701 3.212 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 3.640 3.589 -2.611 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 11.649 1.042 -9.961 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -3.394 3.954 -6.626 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 5.345 -1.585 1.980 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 5.345 16.637 13.445 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 15.974 -11.784 5.996 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 2.566 0.227 -6.303 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 31.814 -6.136 4.252 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 10.129 -5.241 -0.804 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 2.229 -1.724 -2.063 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 0.005 -9.509 -11.394 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 -5.303 -14.041 -19.573 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 -1.696 0.460 2.464 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 -1.823 10.064 9.610 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 2.028 -21.305 -27.050 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 1.496 4.794 0.639 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 13.667 6.900 -1.766 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 30.015 6.161 -2.041 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 0.702 0.277 -5.150 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 -7.281 8.345 -5.518 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 -15.360 17.447 -5.071 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -2.005 3.545 -5.933 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 15.660 -10.911 -5.613 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 -4.934 8.668 14.006 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 -0.074 4.528 3.578 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 7.481 10.842 -38.392 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -9.159 -8.209 -4.187 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 -2.461 1.469 0.077 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 2.398 6.218 4.596 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 -18.300 4.779 0.353 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 -5.158 -8.087 -5.798 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 -14.087 29.985 -16.378 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 -17.857 -5.262 -16.654 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 0.121 -2.547 -6.472 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 5.517 -13.576 1.864 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 -1.437 3.969 3.283 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 0.797 5.222 -1.457 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 0.060 10.875 -8.318 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 -7.557 -17.966 -10.667 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 3.886 -3.337 -4.919 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 -10.228 -13.116 12.121 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 -14.246 11.185 -6.635 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 -5.033 1.509 3.009 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 0.347 2.849 -15.584 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 12.737 -21.575 -17.269 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 4.976 4.699 -3.069 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 22.430 2.226 -14.596 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 -0.473 5.330 -0.565 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 2.100 -1.788 1.803 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 6.439 -9.343 12.850 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 11.071 -21.444 3.952 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 2.226 -9.535 -2.380 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 8.282 0.547 3.737 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 2.381 -11.418 2.060 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -4.948 -1.179 -7.411 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 -14.567 8.118 -2.743 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 7.779 -10.429 19.750 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 -1.422 1.587 1.329 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 -10.716 -2.305 -17.451 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 2.850 14.665 -2.166 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -7.401 -2.703 -1.525 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 2.120 0.904 -0.676 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -5.500 -8.166 -25.368 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 2.423 0.115 6.642 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 2.050 21.385 -1.469 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 -3.920 7.912 -1.980 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 -5.764 5.449 -2.383 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -5.715 -3.074 -18.277 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 8.047 -3.249 9.204 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 -5.181 -9.673 -4.052 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 1.129 -1.387 9.589 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 -20.174 12.344 8.699 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 -2.038 -2.912 3.090 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 -15.703 9.051 2.538 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 -6.404 -4.928 1.446 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 -1.809 -0.574 -0.015 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 13.760 -25.165 22.610 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 -11.324 -7.882 9.047 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 3.011 2.849 -1.155 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -3.427 9.676 -4.880 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 -3.225 -3.059 -7.755 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 4.833 2.012 2.194 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 -0.388 4.462 -8.537 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 7.877 -14.809 3.744 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -3.686 7.036 3.656 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 8.320 34.463 -19.660 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 19.538 -1.391 3.266 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -0.923 -0.578 -0.522 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 14.034 -5.451 -1.251 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 -10.227 18.682 -5.933 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 0.679 -1.718 -0.673 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 -1.176 18.801 -7.088 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 6.792 -5.998 -11.746 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -5.628 0.877 3.478 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 16.794 14.176 -3.285 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -20.211 -0.153 -19.411 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 -2.349 3.792 -3.797 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 -10.727 5.556 1.121 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -13.812 1.910 -1.430 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 -2.965 0.287 5.707 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 20.239 -5.347 -11.916 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -7.745 -17.044 12.274 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 3.116 -3.919 -1.190 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -2.893 -6.629 12.970 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 12.446 17.098 -2.823 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -0.885 -0.676 -2.515 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -16.517 28.072 15.702 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 20.222 8.404 -38.138 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 6.910 5.751 -3.127 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 16.867 -1.949 14.000 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 -13.911 -2.727 4.835 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 0.677 2.992 7.619 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 3.398 -7.680 15.523 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 10.310 16.120 -12.820 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 -0.279 5.462 0.223 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 6.695 -4.436 2.849 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 -8.582 7.466 8.804 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 0.528 -6.259 1.270 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 6.289 -11.543 -0.026 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 1.981 0.732 -9.992 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 6.674 -1.187 2.489 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 15.186 -8.429 2.251 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 12.094 -6.359 2.861 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 9.443 2.706 -0.395 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 1.584 4.549 -8.517 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 12.639 -0.636 15.355 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 0.986 2.386 -0.091 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -16.084 24.222 -12.841 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 9.360 5.028 13.972 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 5.562 -4.339 0.352 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 -10.926 2.683 14.230 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 7.388 -27.688 -8.196 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 5.868 -4.258 -4.939 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 -13.422 1.346 11.214 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 17.698 -8.218 -11.910 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -5.658 -5.185 0.409 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 -3.271 -5.606 11.066 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -8.136 4.263 -1.618 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 6.325 8.010 -2.685 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 10.593 -7.090 3.008 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -2.233 1.570 -7.982 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 -6.383 -0.410 -0.653 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -9.529 -1.407 -20.135 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 5.895 -0.986 -11.602 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 -1.374 3.106 2.556 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 16.804 -20.464 -6.994 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 -9.891 18.193 -23.426 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -4.646 0.577 6.089 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -6.733 -0.712 3.584 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 -8.574 -17.895 21.213 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 0.933 4.360 2.604 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 2.392 0.566 7.052 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 4.060 9.002 2.994 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 -4.257 -1.135 3.764 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -6.053 -5.314 -1.308 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -0.934 3.794 10.435 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -0.746 -1.996 -4.480 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 -15.108 -8.757 -16.221 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -1.515 -10.326 6.287 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 3.727 -2.169 -0.878 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -11.432 -19.598 -17.782 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -1.122 18.774 -13.335 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -6.668 -1.366 2.412 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -9.117 5.404 6.545 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 3.094 15.557 -8.913 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -8.938 3.987 -1.054 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 11.700 -27.526 13.408 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 14.768 19.290 5.148 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -0.476 0.534 -1.831 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 6.728 -7.391 17.601 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 6.498 -11.848 -7.263 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 4.619 -0.313 -6.941 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -10.567 2.752 -26.577 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 -21.800 -16.925 -2.566 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -1.480 1.095 0.760 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 1.097 0.745 -7.719 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 3.419 2.376 9.785 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -1.870 -4.320 -0.949 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 -2.092 30.915 -17.902 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -18.187 -24.688 5.724 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 4.024 -2.153 0.464 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 19.588 -12.913 -0.239 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 5.520 -11.448 -3.695 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 2.900 1.341 -0.722 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 17.522 8.704 5.323 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -7.859 14.624 -2.173 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -6.760 -13.266 -1.940 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 -21.764 0.880 -10.095 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 3.014 -0.422 -27.048 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -0.888 0.268 1.072 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 2.578 4.186 -3.426 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -11.737 -12.595 14.168 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 0.356 0.349 -6.936 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 0.971 -16.181 -2.449 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -11.711 5.773 3.432 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 0.410 1.986 0.014 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -9.689 8.869 -16.190 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 -9.879 15.651 -16.744 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 1.654 -2.087 -12.730 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 -1.376 3.052 2.707 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -7.634 -5.479 -8.079 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 -2.036 -1.108 3.279 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 8.597 10.132 -6.617 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -20.625 -20.953 15.696 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 -0.892 -3.136 2.355 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 -12.515 10.426 3.413 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -6.082 4.981 6.446 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 3.700 -2.136 1.820 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 3.368 -2.599 -10.878 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 10.054 -12.627 4.508 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 7.336 -5.433 -5.854 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 3.649 11.537 -49.730 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 22.525 -16.260 6.548 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 -0.003 2.598 1.404 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 -2.459 1.061 -22.924 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 0.993 3.618 8.686 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 -0.593 1.385 -5.381 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 -3.657 12.379 -4.401 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 0.521 -1.622 -6.953 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 3.324 -1.754 -0.023 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 5.637 1.253 -11.237 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 -4.481 -5.795 -9.387 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -3.102 -2.176 4.272 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -21.802 20.450 -16.264 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 1.923 -10.023 14.511 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 0.318 -4.041 -2.312 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 -3.833 -22.406 14.361 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -1.893 3.521 -8.850 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 1.754 -0.638 -0.818 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -16.419 -12.451 8.498 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 20.800 21.877 0.532 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 -1.799 -2.143 -5.517 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -7.269 -6.622 1.879 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 11.380 4.381 -14.158 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 -8.407 1.008 -0.455 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -22.575 16.154 7.480 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 5.167 -9.591 -8.405 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 0.321 2.718 2.805 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -0.270 2.256 3.273 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 3.383 9.545 11.950 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 3.077 1.015 -1.874 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 -0.001 -7.627 4.300 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 0.422 6.426 10.164 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 -2.020 -2.660 -0.053 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -1.743 4.160 13.159 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 3.601 0.879 -6.288 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 0.622 -2.955 -0.552 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 -13.270 -3.177 -4.950 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 -13.718 9.140 22.434 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 3.493 4.864 -6.890 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 4.832 2.055 -8.928 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 11.887 5.820 4.105 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 2.822 -3.318 -3.058 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 8.543 -10.934 24.783 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 11.364 -20.072 19.532 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 -0.073 -3.709 3.877 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 2.100 2.610 0.627 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 5.831 -10.188 7.788 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 -3.835 -2.432 1.368 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -26.112 7.014 12.272 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 10.076 -25.862 -9.005 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 3.230 4.522 -0.902 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 24.251 6.129 -2.878 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 25.062 -3.260 -9.503 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 -0.841 3.587 -1.178 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 -0.090 2.566 -2.331 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 -3.224 4.233 17.851 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 2.726 -0.877 -3.173 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 11.254 4.740 -12.293 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 9.764 3.200 -5.639 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 4.951 3.679 -5.191 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 -10.677 -19.843 5.020 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 35.137 2.714 7.374 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 -2.726 -7.376 -2.436 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 -15.416 -4.437 -5.843 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 6.538 3.045 -3.725 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -1.886 -7.590 0.211 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 -23.649 6.474 -3.497 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -34.775 -36.569 7.976 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -1.103 4.435 2.080 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -7.745 19.084 0.696 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 6.709 5.263 12.228 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 1.481 -2.235 -1.914 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 4.410 -9.931 -22.115 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -0.723 5.507 17.798 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 -7.045 -0.349 -3.774 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 -6.803 0.357 2.194 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 1.591 2.108 -3.564 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 -3.057 4.602 2.719 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -1.157 -10.578 16.084 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 5.722 9.660 0.455 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -1.644 -0.070 -0.670 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 -9.193 7.335 -8.240 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -1.379 -2.200 -7.836 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 4.766 0.738 0.249 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 21.518 2.876 3.740 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 -3.726 11.133 2.114 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 2.974 -2.620 0.716 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 1.626 2.073 -1.836 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 -2.506 10.460 -4.174 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 1.386 -4.364 3.237 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 21.330 -5.197 3.074 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -0.786 7.284 -5.166 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 3.022 -8.682 3.657 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 -24.894 8.638 5.024 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 -0.662 3.185 35.411 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -4.624 8.172 4.510 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 6.800 -14.849 3.166 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 17.969 14.355 -0.842 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 0.536 -2.583 0.830 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 28.591 -4.913 9.082 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 29.294 -18.050 -10.343 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 4.628 6.894 -4.505 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 22.317 12.614 -17.205 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 0.065 14.535 14.729 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 -4.102 1.777 -2.774 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 -8.203 16.135 -7.522 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -19.481 -7.275 3.758 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 -2.753 1.182 -1.586 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 10.030 -10.208 -5.101 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 -0.314 6.864 -24.525 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 -2.661 -1.618 3.589 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 -3.806 0.599 0.486 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 2.924 -12.951 13.474 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 1.242 2.893 3.508 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 2.013 10.656 -8.961 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -12.745 -7.219 1.641 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 -0.995 0.910 -5.592 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 -9.205 -8.923 15.901 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 -1.655 16.449 -4.809 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 -5.377 -0.383 -1.291 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 -7.523 4.475 7.064 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 -39.591 2.615 -5.896 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 -3.154 -1.871 -8.501 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -3.249 7.530 -6.185 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 -8.607 9.139 -6.847 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 -0.154 7.525 10.367 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 3.354 12.934 3.967 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 7.425 6.875 -16.557 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 3.341 -0.109 -2.275 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 3.474 -0.038 -1.723 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -5.683 -5.219 19.158 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 1.262 -3.737 3.045 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 3.294 -3.560 5.617 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -2.362 -1.085 15.296 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -2.208 2.148 -7.066 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 9.300 -29.244 -7.033 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 24.574 20.919 -4.759 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -3.917 0.308 -7.733 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 -2.359 -11.986 2.274 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -5.802 -7.374 -1.259 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 2.487 4.400 -5.487 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 -4.526 1.357 -10.017 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -19.592 3.653 17.075 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -3.129 -1.269 -4.201 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 0.156 -4.594 -4.187 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 -4.096 -1.746 -7.792 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 0.253 2.461 -3.750 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 8.652 -8.943 -11.963 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 -17.708 1.519 -5.331 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -6.386 -3.095 -0.383 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -4.364 -6.790 -7.512 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -1.044 -6.270 4.579 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 9.804 0.797 -0.542 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -34.722 21.264 -7.178 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 4.290 3.500 -0.911 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 0.853 3.434 1.762 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -22.524 -7.044 6.351 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 7.888 16.953 15.168 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 -6.328 8.867 -1.024 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 6.260 11.227 4.267 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 -27.463 -0.336 14.453 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -4.688 -3.745 0.289 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -13.592 9.287 -0.556 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 -11.869 -15.252 8.213 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 2.661 -4.413 -11.234 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 11.801 3.791 -10.284 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 4.995 -7.597 -31.283 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 4.068 -2.501 1.180 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 13.902 6.778 -9.844 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -13.110 -1.774 8.023 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 -5.947 -5.444 7.326 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 -8.127 2.852 9.195 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 15.044 -5.823 -17.954 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -4.962 6.454 -1.577 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -1.487 2.503 -5.924 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 -4.929 -0.458 -1.770 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 0.858 3.106 -2.505 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 18.210 4.433 -2.330 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -14.131 9.035 17.729 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 -2.999 4.865 -1.165 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 12.741 9.106 3.955 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 2.813 5.500 -0.803 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -3.305 0.865 5.946 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -2.738 -0.612 5.617 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -10.021 5.444 4.132 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -0.454 1.746 -4.725 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 -9.216 8.022 -12.040 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 4.420 -6.641 -9.683 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -1.214 -5.469 2.543 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 -20.132 -8.528 19.935 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -11.281 -14.553 4.227 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 1.679 -8.272 0.237 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 19.445 -24.746 -5.099 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 13.750 -9.959 -15.806 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 5.797 -3.517 -2.173 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 -8.632 7.921 21.148 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 3.858 -4.107 -7.541 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 4.288 -0.093 -2.353 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 -8.896 1.620 4.273 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 -13.087 12.023 7.005 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -4.848 -3.903 0.038 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 -13.982 5.600 -29.798 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 -7.787 15.119 -17.071 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -5.440 -6.443 -0.973 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 -10.429 4.858 -8.469 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 2.852 -23.631 11.470 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 6.103 8.504 2.348 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 11.844 13.424 8.963 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 -14.676 -7.505 27.362 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 9.141 -1.380 5.338 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 4.182 -18.218 9.935 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 11.510 -8.120 -1.298 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 -3.679 2.610 1.459 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -6.284 19.737 2.792 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -5.870 5.460 -4.540 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 2.820 -0.211 2.866 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 14.437 -14.031 -2.836 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 24.950 -21.276 -3.106 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 -1.883 2.346 -5.618 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 -4.680 -10.075 -21.892 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 0.635 27.994 19.162 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 -0.357 -1.090 0.123 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 5.716 24.298 -5.970 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 32.109 6.120 -7.110 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 3.252 9.278 -4.303 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 3.598 25.286 0.434 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 -2.967 12.508 -3.860 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 2.618 0.413 -2.482 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 -1.379 5.105 -5.566 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 16.538 1.453 20.784 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -3.670 1.313 -10.724 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 -3.868 -2.432 0.946 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 -1.123 6.941 -0.041 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 -2.734 1.241 2.522 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 1.675 1.691 1.282 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 -0.910 2.006 5.472 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 6.426 -5.087 1.196 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 -2.644 0.921 -0.999 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 2.495 1.643 2.660 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 0.019 5.514 -4.597 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 -2.656 0.852 1.346 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 -2.328 3.725 -0.205 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -1.688 -3.849 4.138 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -0.757 -3.901 -3.504 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 1.125 -0.719 -4.367 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 1.612 -1.301 0.568 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 -0.800 -3.682 -5.005 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 2.631 -2.221 -1.905 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 0.037 -0.693 -5.384 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -3.604 1.470 0.646 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 1.096 5.684 -0.126 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 -1.643 6.251 0.865 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 5.134 -5.808 6.778 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 -5.438 0.612 2.414 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 3.526 1.995 5.853 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 1.255 -5.445 0.596 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -4.092 5.148 -0.578 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 -3.741 -0.557 6.090 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 -2.225 4.532 1.464 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 3.372 -0.498 4.302 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 -1.017 -1.027 0.802 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -6.217 -2.655 -0.104 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -0.915 -6.699 0.123 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -2.878 -0.880 2.929 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -2.530 -0.380 2.885 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 2.836 0.038 -0.411 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 -5.152 3.932 2.326 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 -0.145 1.291 -0.381 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -4.908 -3.317 0.261 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 4.498 0.699 -0.358 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 3.134 3.486 -0.803 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 0.788 -0.018 3.026 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -3.360 3.161 0.465 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 5.507 -0.882 -4.834 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 -2.377 1.672 0.844 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -0.236 2.029 6.274 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -2.860 -2.680 -0.287 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 -0.869 0.707 -5.565 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -2.438 3.757 -2.015 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 0.628 -1.734 1.926 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 0.216 0.245 1.445 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -1.067 -0.022 -2.238 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 4.166 1.834 -2.966 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 5.784 0.568 -2.413 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 6.123 -2.711 6.433 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 -3.031 0.353 4.252 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 4.975 2.472 1.187 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -3.351 2.123 -0.189 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -2.986 5.585 -5.085 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 2.390 5.098 -3.190 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -4.084 -5.748 -0.258 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 0.794 -4.983 1.521 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -1.074 -2.440 2.848 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -0.776 0.787 -9.057 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 4.759 0.345 0.022 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 1.661 2.131 -1.682 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 -0.518 2.194 -3.117 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -0.271 1.526 -1.520 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 1.286 0.931 -3.303 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -3.709 -3.277 1.002 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -1.126 0.926 2.404 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 -1.317 -1.192 5.616 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 6.514 -2.502 3.608 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 3.041 0.556 -4.153 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -1.914 5.746 -1.092 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 5.188 2.381 -0.198 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 1.169 0.599 -3.652 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 0.371 0.566 -4.828 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 2.078 2.424 0.135 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 -1.791 -2.637 -2.306 1.00 0.00 ION NA END